 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer05_STD_LCPBE_augccpVDZ.in
 Output=21_phenylethanol_conformer05_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-97688.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     97690.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=21_phenylethanol_conformer05_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=026600000
 0,3/108=0266000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=266000000,108=266000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:19:53 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "21_phenylethanol_conformer05_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.206683000000      0.991247000000     -0.693458000000
  C                                                -1.642229000000     -0.263628000000     -0.312054000000
  H                                                -3.164880000000      0.922730000000     -0.631250000000
  H                                                -1.839152000000     -1.004057000000     -1.098273000000
  C                                                -2.254977000000     -0.761668000000      0.996255000000
  C                                                -0.146221000000     -0.098970000000     -0.189451000000
  H                                                -1.821288000000     -1.719640000000      1.286063000000
  H                                                -3.335121000000     -0.898007000000      0.890460000000
  H                                                -2.067076000000     -0.041194000000      1.793736000000
  C                                                 0.419918000000      1.122300000000      0.166451000000
  C                                                 1.795424000000      1.237450000000      0.329195000000
  C                                                 2.619920000000      0.134599000000      0.141627000000
  C                                                 2.060837000000     -1.086536000000     -0.217112000000
  C                                                 0.686656000000     -1.198736000000     -0.383700000000
  H                                                -0.222613000000      1.980785000000      0.301021000000
  H                                                 2.224694000000      2.193556000000      0.600973000000
  H                                                 3.691054000000      0.226969000000      0.266922000000
  H                                                 2.695233000000     -1.949451000000     -0.374819000000
  H                                                 0.256637000000     -2.150534000000     -0.674443000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.206683    0.991247   -0.693458
      2          6           0       -1.642229   -0.263628   -0.312054
      3          1           0       -3.164880    0.922730   -0.631250
      4          1           0       -1.839152   -1.004057   -1.098273
      5          6           0       -2.254977   -0.761668    0.996255
      6          6           0       -0.146221   -0.098970   -0.189451
      7          1           0       -1.821288   -1.719640    1.286063
      8          1           0       -3.335121   -0.898007    0.890460
      9          1           0       -2.067076   -0.041194    1.793736
     10          6           0        0.419918    1.122300    0.166451
     11          6           0        1.795424    1.237450    0.329195
     12          6           0        2.619920    0.134599    0.141627
     13          6           0        2.060837   -1.086536   -0.217112
     14          6           0        0.686656   -1.198736   -0.383700
     15          1           0       -0.222613    1.980785    0.301021
     16          1           0        2.224694    2.193556    0.600973
     17          1           0        3.691054    0.226969    0.266922
     18          1           0        2.695233   -1.949451   -0.374819
     19          1           0        0.256637   -2.150534   -0.674443
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.427862   0.000000
     3  H    0.962656   1.956476   0.000000
     4  H    2.068863   1.097795   2.384989   0.000000
     5  C    2.435195   1.528128   2.512746   2.149119   0.000000
     6  C    2.384974   1.510028   3.217353   2.123948   2.508370
     7  H    3.378748   2.169334   3.530361   2.489465   1.090773
     8  H    2.711356   2.171258   2.379005   2.490829   1.093843
     9  H    2.696583   2.159704   2.831056   3.056595   1.091039
    10  C    2.766885   2.530260   3.677898   3.350271   3.375348
    11  C    4.138030   3.805508   5.062225   4.502462   4.565872
    12  C    4.972656   4.304686   5.889177   4.766258   5.029742
    13  C    4.770306   3.794587   5.613981   3.999145   4.494891
    14  C    3.641893   2.510630   4.404115   2.632151   3.278492
    15  H    2.429960   2.725539   3.262751   3.671581   3.483519
    16  H    4.770556   4.671666   5.672819   5.443070   5.381175
    17  H    6.024098   5.387003   6.949434   5.827723   6.071624
    18  H    5.725209   4.653978   6.531164   4.688049   5.272120
    19  H    3.992380   2.701376   4.599304   2.426185   3.320901
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.758544   0.000000
     8  H    3.460311   1.767278   0.000000
     9  H    2.761531   1.770685   1.777069   0.000000
    10  C    1.392365   3.788556   4.325060   3.191695   0.000000
    11  C    2.413503   4.768709   5.585489   4.324201   1.389878
    12  C    2.795658   4.946945   6.090118   4.972756   2.411675
    13  C    2.418089   4.210849   5.511680   4.709131   2.778253
    14  C    1.393163   3.057651   4.229493   3.696508   2.400213
    15  H    2.138172   4.149604   4.280489   3.117473   1.080718
    16  H    3.391413   5.670311   6.368132   4.983581   2.143272
    17  H    3.878040   5.934126   7.142934   5.963148   3.392940
    18  H    3.395954   4.817707   6.250731   5.569889   3.860788
    19  H    2.146259   2.889122   4.113207   3.992601   3.383076
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.389696   0.000000
    13  C    2.402042   1.390122   0.000000
    14  C    2.769944   2.406504   1.388781   0.000000
    15  H    2.150771   3.393200   3.858894   3.377124   0.000000
    16  H    1.082716   2.146277   3.384541   3.852634   2.474784
    17  H    2.149038   1.082386   2.148765   3.388562   4.288802
    18  H    3.385503   2.148407   1.082567   2.144303   4.941390
    19  H    3.854036   3.387168   2.143917   1.084144   4.271886
                   16         17         18         19
    16  H    0.000000
    17  H    2.475735   0.000000
    18  H    4.282299   2.477962   0.000000
    19  H    4.936705   4.281811   2.465149   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.206683    0.991247   -0.693458
      2          6           0       -1.642229   -0.263628   -0.312054
      3          1           0       -3.164880    0.922730   -0.631250
      4          1           0       -1.839152   -1.004057   -1.098273
      5          6           0       -2.254977   -0.761668    0.996255
      6          6           0       -0.146221   -0.098970   -0.189451
      7          1           0       -1.821288   -1.719640    1.286063
      8          1           0       -3.335121   -0.898007    0.890460
      9          1           0       -2.067076   -0.041194    1.793736
     10          6           0        0.419918    1.122300    0.166451
     11          6           0        1.795424    1.237450    0.329195
     12          6           0        2.619920    0.134599    0.141627
     13          6           0        2.060837   -1.086536   -0.217112
     14          6           0        0.686656   -1.198736   -0.383700
     15          1           0       -0.222613    1.980785    0.301021
     16          1           0        2.224694    2.193556    0.600973
     17          1           0        3.691054    0.226969    0.266922
     18          1           0        2.695233   -1.949451   -0.374819
     19          1           0        0.256637   -2.150534   -0.674443
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4754003           1.1392966           0.9690623
 Leave Link  202 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.8905530360 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.266000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.266000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:19:55 2021, MaxMem=  5637144576 cpu:              11.3 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.76D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer05_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:19:57 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636940527 LenY=  5636840861
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -384.925099766864    
 DIIS: error= 3.13D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -384.925099766864     IErMin= 1 ErrMin= 3.13D-03
 ErrMax= 3.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.50D-03 BMatP= 9.50D-03
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.13D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.383 Goal=   None    Shift=    0.000
 GapD=    0.383 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.26D-02 MaxDP=2.76D+00              OVMax= 2.14D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.19D-02    CP:  1.63D+00
 E= -384.933727946181     Delta-E=       -0.008628179317 Rises=F Damp=F
 DIIS: error= 1.09D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -384.933727946181     IErMin= 2 ErrMin= 1.09D-03
 ErrMax= 1.09D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.80D-04 BMatP= 9.50D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.09D-02
 Coeff-Com:  0.834D-01 0.917D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.825D-01 0.918D+00
 Gap=     0.357 Goal=   None    Shift=    0.000
 RMSDP=8.55D-03 MaxDP=4.77D-01 DE=-8.63D-03 OVMax= 9.00D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.57D-03    CP:  1.73D+00  1.16D+00
 E= -384.933889255329     Delta-E=       -0.000161309147 Rises=F Damp=F
 DIIS: error= 9.17D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -384.933889255329     IErMin= 3 ErrMin= 9.17D-04
 ErrMax= 9.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.40D-04 BMatP= 8.80D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.17D-03
 Coeff-Com: -0.334D-01 0.504D+00 0.530D+00
 Coeff-En:   0.000D+00 0.432D+00 0.568D+00
 Coeff:     -0.331D-01 0.503D+00 0.530D+00
 Gap=     0.357 Goal=   None    Shift=    0.000
 RMSDP=1.83D-03 MaxDP=1.01D-01 DE=-1.61D-04 OVMax= 6.16D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.13D-04    CP:  1.75D+00  1.19D+00  1.14D+00
 E= -384.934492085174     Delta-E=       -0.000602829846 Rises=F Damp=F
 DIIS: error= 9.10D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -384.934492085174     IErMin= 4 ErrMin= 9.10D-05
 ErrMax= 9.10D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.92D-06 BMatP= 8.40D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.758D-02 0.312D-01 0.975D-01 0.879D+00
 Coeff:     -0.758D-02 0.312D-01 0.975D-01 0.879D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=5.14D-04 MaxDP=2.75D-02 DE=-6.03D-04 OVMax= 1.05D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.11D-04    CP:  1.75D+00  1.20D+00  1.22D+00  1.19D+00
 E= -384.934501329015     Delta-E=       -0.000009243841 Rises=F Damp=F
 DIIS: error= 5.21D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -384.934501329015     IErMin= 5 ErrMin= 5.21D-05
 ErrMax= 5.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-06 BMatP= 8.92D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.704D-03-0.462D-01-0.207D-01 0.322D+00 0.745D+00
 Coeff:      0.704D-03-0.462D-01-0.207D-01 0.322D+00 0.745D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=1.02D-04 MaxDP=5.55D-03 DE=-9.24D-06 OVMax= 4.92D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.33D-05    CP:  1.76D+00  1.20D+00  1.25D+00  1.20D+00  1.20D+00
 E= -384.934503210000     Delta-E=       -0.000001880985 Rises=F Damp=F
 DIIS: error= 1.03D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -384.934503210000     IErMin= 6 ErrMin= 1.03D-05
 ErrMax= 1.03D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.39D-08 BMatP= 1.47D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.731D-03-0.139D-01-0.111D-01 0.277D-01 0.193D+00 0.803D+00
 Coeff:      0.731D-03-0.139D-01-0.111D-01 0.277D-01 0.193D+00 0.803D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=2.26D-05 MaxDP=1.10D-03 DE=-1.88D-06 OVMax= 1.61D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.06D-05    CP:  1.76D+00  1.20D+00  1.25D+00  1.22D+00  1.30D+00
                    CP:  1.08D+00
 E= -384.934503321323     Delta-E=       -0.000000111323 Rises=F Damp=F
 DIIS: error= 4.83D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -384.934503321323     IErMin= 7 ErrMin= 4.83D-06
 ErrMax= 4.83D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-08 BMatP= 7.39D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.249D-03-0.366D-03-0.215D-02-0.280D-01-0.119D-01 0.340D+00
 Coeff-Com:  0.703D+00
 Coeff:      0.249D-03-0.366D-03-0.215D-02-0.280D-01-0.119D-01 0.340D+00
 Coeff:      0.703D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=1.13D-05 MaxDP=6.80D-04 DE=-1.11D-07 OVMax= 6.40D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.98D-06    CP:  1.75D+00  1.20D+00  1.25D+00  1.22D+00  1.33D+00
                    CP:  1.14D+00  9.93D-01
 E= -384.934503346534     Delta-E=       -0.000000025210 Rises=F Damp=F
 DIIS: error= 1.27D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -384.934503346534     IErMin= 8 ErrMin= 1.27D-06
 ErrMax= 1.27D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-09 BMatP= 1.79D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.529D-04 0.193D-02 0.117D-02-0.122D-01-0.327D-01-0.191D-01
 Coeff-Com:  0.202D+00 0.859D+00
 Coeff:     -0.529D-04 0.193D-02 0.117D-02-0.122D-01-0.327D-01-0.191D-01
 Coeff:      0.202D+00 0.859D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=4.80D-06 MaxDP=2.45D-04 DE=-2.52D-08 OVMax= 3.07D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.06D-06    CP:  1.75D+00  1.20D+00  1.25D+00  1.22D+00  1.34D+00
                    CP:  1.16D+00  1.05D+00  1.01D+00
 E= -384.934503349123     Delta-E=       -0.000000002589 Rises=F Damp=F
 DIIS: error= 2.58D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -384.934503349123     IErMin= 9 ErrMin= 2.58D-07
 ErrMax= 2.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.20D-11 BMatP= 1.33D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.255D-04 0.409D-03 0.371D-03-0.782D-03-0.560D-02-0.251D-01
 Coeff-Com: -0.380D-02 0.178D+00 0.857D+00
 Coeff:     -0.255D-04 0.409D-03 0.371D-03-0.782D-03-0.560D-02-0.251D-01
 Coeff:     -0.380D-02 0.178D+00 0.857D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=4.50D-07 MaxDP=1.48D-05 DE=-2.59D-09 OVMax= 7.49D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.93D-07    CP:  1.75D+00  1.20D+00  1.25D+00  1.22D+00  1.33D+00
                    CP:  1.15D+00  1.06D+00  1.05D+00  1.11D+00
 E= -384.934503349240     Delta-E=       -0.000000000117 Rises=F Damp=F
 DIIS: error= 1.35D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -384.934503349240     IErMin=10 ErrMin= 1.35D-07
 ErrMax= 1.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-11 BMatP= 7.20D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.325D-05-0.974D-04-0.849D-05 0.141D-02 0.241D-02-0.771D-02
 Coeff-Com: -0.299D-01-0.477D-01 0.349D+00 0.733D+00
 Coeff:     -0.325D-05-0.974D-04-0.849D-05 0.141D-02 0.241D-02-0.771D-02
 Coeff:     -0.299D-01-0.477D-01 0.349D+00 0.733D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=3.28D-07 MaxDP=1.51D-05 DE=-1.17D-10 OVMax= 2.64D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.07D-07    CP:  1.75D+00  1.20D+00  1.25D+00  1.22D+00  1.33D+00
                    CP:  1.15D+00  1.05D+00  1.05D+00  1.17D+00  8.93D-01
 E= -384.934503349309     Delta-E=       -0.000000000069 Rises=F Damp=F
 DIIS: error= 2.96D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -384.934503349309     IErMin=11 ErrMin= 2.96D-08
 ErrMax= 2.96D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.27D-13 BMatP= 1.80D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.163D-05-0.585D-04-0.370D-04 0.395D-03 0.995D-03 0.368D-03
 Coeff-Com: -0.575D-02-0.261D-01-0.205D-02 0.164D+00 0.869D+00
 Coeff:      0.163D-05-0.585D-04-0.370D-04 0.395D-03 0.995D-03 0.368D-03
 Coeff:     -0.575D-02-0.261D-01-0.205D-02 0.164D+00 0.869D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=1.13D-07 MaxDP=6.56D-06 DE=-6.89D-11 OVMax= 9.74D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.79D-08    CP:  1.75D+00  1.20D+00  1.25D+00  1.22D+00  1.33D+00
                    CP:  1.15D+00  1.05D+00  1.05D+00  1.18D+00  9.49D-01
                    CP:  1.02D+00
 E= -384.934503349286     Delta-E=        0.000000000023 Rises=F Damp=F
 DIIS: error= 1.20D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -384.934503349309     IErMin=12 ErrMin= 1.20D-08
 ErrMax= 1.20D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-13 BMatP= 9.27D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.867D-06-0.114D-04-0.135D-04 0.447D-05 0.105D-03 0.935D-03
 Coeff-Com:  0.107D-02-0.504D-02-0.372D-01-0.130D-01 0.328D+00 0.725D+00
 Coeff:      0.867D-06-0.114D-04-0.135D-04 0.447D-05 0.105D-03 0.935D-03
 Coeff:      0.107D-02-0.504D-02-0.372D-01-0.130D-01 0.328D+00 0.725D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=2.14D-08 MaxDP=1.12D-06 DE= 2.31D-11 OVMax= 2.92D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.79D-09    CP:  1.75D+00  1.20D+00  1.25D+00  1.22D+00  1.33D+00
                    CP:  1.15D+00  1.05D+00  1.05D+00  1.17D+00  9.53D-01
                    CP:  1.09D+00  1.01D+00
 E= -384.934503349302     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 5.59D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -384.934503349309     IErMin=13 ErrMin= 5.59D-09
 ErrMax= 5.59D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.97D-14 BMatP= 1.90D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.118D-06 0.510D-05 0.317D-06-0.652D-04-0.132D-03 0.324D-03
 Coeff-Com:  0.147D-02 0.240D-02-0.156D-01-0.343D-01-0.208D-01 0.291D+00
 Coeff-Com:  0.776D+00
 Coeff:      0.118D-06 0.510D-05 0.317D-06-0.652D-04-0.132D-03 0.324D-03
 Coeff:      0.147D-02 0.240D-02-0.156D-01-0.343D-01-0.208D-01 0.291D+00
 Coeff:      0.776D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=6.26D-09 MaxDP=2.51D-07 DE=-1.59D-11 OVMax= 1.51D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -384.934503349     A.U. after   13 cycles
            NFock= 13  Conv=0.63D-08     -V/T= 2.0047
 KE= 3.831390782523D+02 PE=-1.748764209164D+03 EE= 5.548000745264D+02
 Leave Link  502 at Mon Aug 16 21:22:05 2021, MaxMem=  5637144576 cpu:            1023.1 elap:             128.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.12397067D+03

 Leave Link  801 at Mon Aug 16 21:22:05 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 3.07D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 2.25D-01 6.05D-02.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 4.30D-02 5.33D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 3.70D-03 1.26D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 2.90D-04 3.68D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 2.17D-05 6.30D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 8.09D-07 1.28D-04.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 2.05D-08 2.56D-05.
     11 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 5.64D-10 5.01D-06.
     10 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 1.37D-11 5.59D-07.
      8 vectors produced by pass 10 Test12= 1.45D-13 8.33D-09 XBig12= 2.91D-13 7.72D-08.
      3 vectors produced by pass 11 Test12= 1.45D-13 8.33D-09 XBig12= 1.08D-14 1.41D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.131739D+03
      2  0.110988D+01  0.106455D+03
      3  0.134212D+01  0.638054D+01  0.741862D+02
 Isotropic polarizability for W=    0.085645      104.13 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.831109D+02  0.102176D+02  0.246233D+01
      2  -0.317606D+02 -0.150061D+02 -0.161103D+02
      3  -0.513503D+02  0.478852D+01  0.136480D+02
      4  -0.193435D+02  0.740275D+02  0.336493D+02
      5   0.307771D+02  0.350892D+02 -0.106510D+02
      6   0.129701D+02  0.102626D+02 -0.165429D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.125874D+01  0.344957D+01  0.694192D+01
      2   0.677378D+01  0.138597D+02 -0.191044D+01
      3  -0.666470D+01 -0.404956D+02 -0.130666D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.143990D+01  0.263730D+02  0.213314D+02
      2  -0.283148D+02  0.206792D+02  0.406993D+02
      3  -0.295610D+02 -0.105788D+03 -0.221191D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.756506D+00 -0.279857D+01 -0.109801D+01
      2  -0.279857D+01 -0.199290D+01  0.246540D+01
      3  -0.109801D+01  0.246540D+01  0.770712D+00
 OR G Eigenvalues:    -4.2679    -0.3267     4.1289  Iso=     0.1552
 Eigenvectors:
   (1)   0.403368   0.853557  -0.329748
   (2)   0.671015  -0.030916   0.740799
   (3)   0.622120  -0.520081  -0.585220
 w=    0.085645 a.u., Optical Rotation Beta=      0.1552 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       60.26 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 1.91D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.45D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 3.78D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 3.30D-02 2.98D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 1.62D-03 5.04D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 1.93D-05 5.81D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 2.99D-07 9.29D-05.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 3.79D-09 7.21D-06.
     30 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 4.06D-11 8.61D-07.
     30 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 3.07D-13 7.19D-08.
     11 vectors produced by pass  8 Test12= 2.42D-14 2.78D-09 XBig12= 3.52D-15 8.43D-09.
      1 vectors produced by pass  9 Test12= 2.42D-14 2.78D-09 XBig12= 2.12D-15 4.67D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   252 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 5.62D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 5.62D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.66D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131739D+03  0.110988D+01  0.134212D+01
      2   0.110988D+01  0.106455D+03  0.638054D+01
      3   0.134212D+01  0.638054D+01  0.741862D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.125874D+01  0.344957D+01  0.694192D+01
      2   0.677378D+01  0.138597D+02 -0.191044D+01
      3  -0.666470D+01 -0.404956D+02 -0.130666D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.831109D+02  0.102176D+02  0.246233D+01
      2  -0.317606D+02 -0.150061D+02 -0.161103D+02
      3  -0.513503D+02  0.478852D+01  0.136480D+02
      4  -0.193435D+02  0.740275D+02  0.336493D+02
      5   0.307771D+02  0.350892D+02 -0.106510D+02
      6   0.129701D+02  0.102626D+02 -0.165429D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.708747D+01  0.463104D+00 -0.168688D+00  0.169807D+01 -0.200808D+01
      2   0.463104D+00  0.749597D+00  0.456284D+00 -0.200808D+01  0.298923D+01
      3  -0.168688D+00  0.456284D+00  0.414181D+00  0.124943D+01 -0.243728D+01
                 6             7             8             9            10 
      1   0.124943D+01 -0.143746D+00  0.906773D+00 -0.135282D+01  0.553329D+01
      2  -0.243728D+01  0.906773D+00 -0.586587D+00  0.110798D+01  0.150922D+01
      3   0.969315D+00 -0.135282D+01  0.110798D+01 -0.160211D+01 -0.826127D+00
                11            12            13            14            15 
      1   0.150922D+01 -0.826127D+00  0.457250D+01  0.353742D+01 -0.180408D+01
      2   0.123543D+01 -0.120873D+01  0.353742D+01  0.174375D+01  0.369183D+01
      3  -0.120873D+01  0.200102D+01 -0.180408D+01  0.369183D+01  0.336081D+01
                16            17            18            19            20 
      1  -0.465062D+01 -0.167357D+01  0.420200D+01 -0.115785D+02  0.196205D+01
      2  -0.167357D+01  0.200942D+01  0.385416D+01  0.196205D+01 -0.171841D+01
      3   0.420200D+01  0.385416D+01  0.635129D+00 -0.994369D+00  0.421212D+00
                21            22            23            24            25 
      1  -0.994369D+00  0.679959D+00 -0.871112D+00 -0.144319D-01  0.395433D+00
      2   0.421212D+00 -0.871112D+00  0.652783D+00  0.160867D-03 -0.127583D+00
      3  -0.148386D+01 -0.144319D-01  0.160867D-03  0.157441D+00 -0.666211D+00
                26            27            28            29            30 
      1  -0.127583D+00 -0.666211D+00 -0.878515D+00 -0.119342D+01 -0.101157D+01
      2   0.140954D+00  0.319216D+00 -0.119342D+01 -0.944657D+00 -0.363998D+00
      3   0.319216D+00 -0.427146D+00 -0.101157D+01 -0.363998D+00 -0.123060D+01
                31            32            33            34            35 
      1  -0.339560D+01 -0.173750D+01 -0.710469D+00 -0.198046D+01 -0.733110D+00
      2  -0.173750D+01 -0.407574D+01 -0.248177D+01 -0.733110D+00 -0.266157D+01
      3  -0.710469D+00 -0.248177D+01 -0.286098D+01 -0.186144D+01 -0.265577D+01
                36            37            38            39            40 
      1  -0.186144D+01  0.941610D+01  0.153856D+01  0.604949D+00 -0.120186D+00
      2  -0.265577D+01  0.153856D+01 -0.223077D+01  0.877348D+00 -0.251920D+01
      3  -0.425311D+01  0.604949D+00  0.877348D+00 -0.219016D+01  0.172184D+01
                41            42            43            44            45 
      1  -0.251920D+01  0.172184D+01  0.558535D+01  0.206722D+01 -0.344518D+01
      2   0.237701D+01 -0.303946D+01  0.206722D+01 -0.190119D+01 -0.304642D+01
      3  -0.303946D+01 -0.291633D+01 -0.344518D+01 -0.304642D+01 -0.491620D+00
                46            47            48            49            50 
      1  -0.185544D+02 -0.293788D+01  0.187731D+00 -0.370834D+01  0.913729D+00
      2  -0.293788D+01 -0.285458D+01  0.137525D-01  0.913729D+00 -0.122092D+00
      3   0.187731D+00  0.137525D-01 -0.186313D+01  0.137861D+01 -0.340942D+00
                51            52            53            54            55 
      1   0.137861D+01 -0.383873D+00  0.129876D+01 -0.382384D+01  0.260804D+00
      2  -0.340942D+00  0.129876D+01 -0.441934D+00 -0.707661D+00 -0.948757D+00
      3  -0.238231D+00 -0.382384D+01 -0.707661D+00 -0.114187D+01  0.173572D+00
                56            57            58            59            60 
      1  -0.948757D+00  0.173572D+00 -0.192553D+01  0.533890D+00 -0.864021D-01
      2   0.163280D+01 -0.763787D+00  0.533890D+00 -0.608241D+01  0.237871D+01
      3  -0.763787D+00  0.110546D+01 -0.864021D-01  0.237871D+01 -0.207712D+01
                61            62            63            64            65 
      1   0.138748D+00 -0.343631D+00  0.308351D+00 -0.138290D+02 -0.217837D+01
      2  -0.343631D+00  0.161726D+01 -0.124612D+01 -0.217837D+01 -0.144308D+01
      3   0.308351D+00 -0.124612D+01  0.164848D+01  0.118364D+01  0.364153D+00
                66            67            68            69            70 
      1   0.118364D+01 -0.160379D+01 -0.140620D+01  0.155276D-01 -0.161544D+01
      2   0.364153D+00 -0.140620D+01 -0.101413D+01  0.464354D+00 -0.315009D+00
      3  -0.156814D+01  0.155276D-01  0.464354D+00 -0.553784D-01 -0.836783D+00
                71            72            73            74            75 
      1  -0.315009D+00 -0.836783D+00 -0.245761D+00  0.406976D+00  0.412227D+00
      2  -0.171119D+00  0.937997D-01  0.406976D+00  0.482742D+00 -0.125817D-02
      3   0.937997D-01 -0.708563D-01  0.412227D+00 -0.125817D-02  0.107550D+01
                76            77            78            79            80 
      1   0.163628D+01  0.100672D+00 -0.720646D+00  0.108054D+01 -0.118664D+00
      2   0.100672D+00  0.200171D+01  0.189957D+01 -0.118664D+00  0.189904D+01
      3  -0.720646D+00  0.189957D+01  0.342634D+01 -0.310850D+00  0.158808D+01
                81            82            83            84            85 
      1  -0.310850D+00  0.362035D+01 -0.713213D+00  0.137037D+00  0.817839D+01
      2   0.158808D+01 -0.713213D+00 -0.331207D+01 -0.793838D+00  0.377945D+00
      3   0.499958D+01  0.137037D+00 -0.793838D+00 -0.200807D+01  0.225590D+00
                86            87            88            89            90 
      1   0.377945D+00  0.225590D+00  0.287221D+01 -0.234787D+00 -0.189242D+01
      2   0.174083D+01 -0.738157D+00 -0.234787D+00 -0.175062D+01  0.305336D+01
      3  -0.738157D+00  0.141870D+01 -0.189242D+01  0.305336D+01  0.124281D+01
                91            92            93            94            95 
      1  -0.360057D+01 -0.400214D+00 -0.265638D+00  0.488940D+01  0.279601D+00
      2  -0.400214D+00  0.283072D+01 -0.278409D+00  0.279601D+00  0.128278D+01
      3  -0.265638D+00 -0.278409D+00  0.743576D+00 -0.422001D+00 -0.113924D+01
                96            97            98            99           100 
      1  -0.422001D+00  0.561284D+00 -0.945517D+00  0.197418D+01  0.574104D+01
      2  -0.113924D+01 -0.945517D+00 -0.131797D+01  0.358688D+01  0.462998D+00
      3   0.181932D+01  0.197418D+01  0.358688D+01  0.281889D+01 -0.635536D+00
               101           102           103           104           105 
      1   0.462998D+00 -0.635536D+00  0.132052D+01 -0.401125D+00 -0.140618D+01
      2   0.323649D+01  0.658255D-01 -0.401125D+00  0.328272D+00 -0.614393D+00
      3   0.658255D-01  0.285808D+01 -0.140618D+01 -0.614393D+00 -0.105905D+00
               106           107           108           109           110 
      1  -0.965599D-01 -0.139893D+01  0.517818D+01 -0.274708D+01 -0.700497D+00
      2  -0.139893D+01  0.238494D+00  0.284915D+00 -0.700497D+00  0.249463D+01
      3   0.517818D+01  0.284915D+00  0.121250D+01 -0.482018D+00  0.957216D+00
               111           112           113           114           115 
      1  -0.482018D+00 -0.579140D+01 -0.734365D+00 -0.104445D+01 -0.201709D+01
      2   0.957216D+00 -0.734365D+00 -0.117530D+01  0.138899D+01 -0.631103D+00
      3   0.185429D+01 -0.104445D+01  0.138899D+01 -0.178533D+01  0.288452D+01
               116           117           118           119           120 
      1  -0.631103D+00  0.288452D+01  0.472337D+01  0.243827D+01  0.703833D+00
      2   0.191215D+01 -0.300048D+01  0.243827D+01 -0.259623D+01 -0.315190D-01
      3  -0.300048D+01 -0.164789D+01  0.703833D+00 -0.315190D-01 -0.121264D+01
               121           122           123           124           125 
      1  -0.674028D+01 -0.798916D+00  0.381930D+00 -0.601147D+00  0.117360D+01
      2  -0.798916D+00 -0.173207D+01  0.116461D+01  0.117360D+01  0.112922D+01
      3   0.381930D+00  0.116461D+01 -0.113773D+01 -0.726027D+00 -0.303976D+01
               126           127           128           129           130 
      1  -0.726027D+00 -0.318561D+01  0.214842D+01  0.168115D+00  0.238871D+01
      2  -0.303976D+01  0.214842D+01 -0.279583D+01 -0.299283D+00 -0.274005D+01
      3  -0.289073D+01  0.168115D+00 -0.299283D+00 -0.429351D+00 -0.496137D+00
               131           132           133           134           135 
      1  -0.274005D+01 -0.496137D+00  0.664393D-01 -0.366390D+00 -0.825488D-01
      2   0.618816D+01  0.823151D+00 -0.366390D+00  0.112416D+01  0.260807D+00
      3   0.823151D+00  0.976965D+00 -0.825488D-01  0.260807D+00  0.186107D+00
               136           137           138           139           140 
      1   0.243291D+01  0.264303D+01  0.784048D+00  0.246076D+01  0.371083D+01
      2   0.264303D+01  0.291843D+01  0.777680D+00  0.371083D+01  0.883188D+01
      3   0.784048D+00  0.777680D+00  0.644305D+00  0.970775D+00  0.210441D+01
               141           142           143           144           145 
      1   0.970775D+00  0.802447D+00  0.113750D+01  0.354058D+00  0.130232D+02
      2   0.210441D+01  0.113750D+01  0.232791D+01  0.605667D+00  0.900115D+00
      3   0.149113D+01  0.354058D+00  0.605667D+00  0.415513D+00  0.121675D+01
               146           147           148           149           150 
      1   0.900115D+00  0.121675D+01  0.785063D+00  0.156259D+01  0.463730D+00
      2   0.926756D+00  0.549953D-01  0.156259D+01  0.352380D+00  0.172021D+00
      3   0.549953D-01  0.111871D+01  0.463730D+00  0.172021D+00  0.149768D+00
               151           152           153           154           155 
      1   0.134532D+01  0.468394D+00  0.127141D+00  0.452241D+01 -0.364344D+01
      2   0.468394D+00  0.135461D+00  0.268364D-01 -0.364344D+01  0.351956D+01
      3   0.127141D+00  0.268364D-01  0.175420D+00 -0.616882D+00  0.477855D+00
               156           157           158           159           160 
      1  -0.616882D+00 -0.362118D+01  0.430511D+01  0.903445D+00 -0.539072D+00
      2   0.477855D+00  0.430511D+01 -0.668765D+01 -0.118265D+01  0.699166D+00
      3   0.674838D+00  0.903445D+00 -0.118265D+01 -0.105219D+01  0.183664D+00
               161           162           163           164           165 
      1   0.699166D+00  0.183664D+00 -0.174154D+01 -0.175695D+01 -0.571071D+00
      2  -0.140211D+01 -0.314893D+00 -0.175695D+01 -0.213152D+01 -0.725495D+00
      3  -0.314893D+00 -0.243467D+00 -0.571071D+00 -0.725495D+00 -0.503993D+00
               166           167           168           169           170 
      1  -0.170334D+01 -0.210523D+01 -0.606067D+00 -0.819774D+00 -0.863131D+00
      2  -0.210523D+01 -0.759941D+01 -0.211391D+01 -0.863131D+00 -0.230097D+01
      3  -0.606067D+00 -0.211391D+01 -0.154060D+01 -0.213960D+00 -0.770599D+00
               171 
      1  -0.213960D+00
      2  -0.770599D+00
      3  -0.565630D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.424530D+00  0.672508D+00  0.881072D+00 -0.183468D+00 -0.372951D+01
      2   0.611230D+01 -0.876397D+00  0.142098D+01  0.264327D+00  0.337783D+01
      3   0.147090D+02 -0.412643D+01  0.175133D+01  0.278304D+01  0.102037D+02
                 6             7             8             9            10 
      1  -0.480760D+01 -0.224667D+01  0.426404D+01  0.667910D+00 -0.163459D+01
      2  -0.366284D+01 -0.272643D+01 -0.307719D+00  0.317871D+01  0.250244D+01
      3  -0.496432D+01  0.664558D+00 -0.167202D+01  0.260082D+01  0.170666D+01
                11            12            13            14            15 
      1  -0.411918D+00 -0.384622D+00  0.137982D+01  0.259856D+01  0.188891D+01
      2   0.173237D+01 -0.253971D+01  0.308331D+01 -0.603328D+01 -0.457183D+01
      3   0.112159D+01 -0.235798D+00  0.104892D+02 -0.270546D+01  0.789119D+01
                16            17            18            19            20 
      1   0.482927D+01  0.475938D+01 -0.180077D+01 -0.596751D+00  0.871608D+00
      2  -0.142062D+02 -0.899664D+01 -0.110197D+01 -0.623039D+01  0.283807D+00
      3  -0.108845D+01  0.714498D+01  0.590930D+01 -0.915619D+01 -0.446509D+01
                21            22            23            24            25 
      1   0.111812D+01  0.403733D+00 -0.189600D+00 -0.519909D+00  0.384418D+00
      2   0.568890D+01 -0.421047D-01 -0.988339D+00  0.259220D+00  0.843591D+00
      3   0.714455D-01 -0.880899D+00  0.319570D+00  0.489383D+00  0.212342D+00
                26            27            28            29            30 
      1   0.175006D+00 -0.386737D+00 -0.955379D+00  0.164019D+00 -0.104810D+01
      2  -0.396561D+00  0.753920D-01  0.127057D+01  0.449100D+00  0.266280D+01
      3   0.548440D+00 -0.190540D+00 -0.252149D+01 -0.287301D+01 -0.223036D+00
                31            32            33            34            35 
      1  -0.232941D+00  0.121295D+01 -0.287032D+01 -0.133326D+01  0.127372D+01
      2  -0.825240D+00  0.412154D+01  0.520792D+01 -0.604751D-01  0.400298D+01
      3   0.900593D+00 -0.739227D+01 -0.494267D+01  0.109045D+01 -0.534538D+01
                36            37            38            39            40 
      1  -0.252457D+01  0.382652D+01 -0.315153D+01 -0.148108D+01 -0.457125D+00
      2   0.677893D+01 -0.127521D+02 -0.460324D+01  0.860007D+01 -0.641253D+01
      3  -0.440997D+01 -0.316797D+01 -0.110680D+02  0.923139D+00 -0.483522D+01
                41            42            43            44            45 
      1   0.227181D+01 -0.103690D+02 -0.194396D+01 -0.523392D+01 -0.296496D+01
      2   0.108116D+02  0.583411D+01  0.544681D+01  0.688465D+01  0.459498D+01
      3   0.109313D+02 -0.110957D+02  0.137021D+01 -0.990359D+01 -0.532434D+01
                46            47            48            49            50 
      1  -0.495115D+00 -0.388031D+00 -0.267108D+00 -0.237114D+01 -0.366360D+01
      2  -0.272837D+01 -0.147308D+01 -0.154937D+01 -0.143807D+01  0.516863D+00
      3  -0.336910D+01  0.643403D+01  0.115836D+01  0.164193D+02  0.183420D+01
                51            52            53            54            55 
      1   0.990243D+00  0.818811D-01  0.993982D+01  0.263371D+01 -0.160018D+01
      2   0.862200D+00 -0.133266D+02  0.716455D+00  0.257829D+00 -0.207884D+01
      3  -0.140681D+01  0.393178D+00  0.706694D+00 -0.445165D+00 -0.487593D+01
                56            57            58            59            60 
      1   0.202165D+01  0.117038D+01  0.134279D+01 -0.582245D+01 -0.112492D+01
      2   0.255227D+01 -0.207410D+01  0.323787D+01 -0.723613D+01  0.488757D+01
      3   0.501569D+01 -0.154935D+01  0.679347D+01 -0.158452D+02  0.617019D+01
                61            62            63            64            65 
      1   0.547747D+00  0.234254D+01  0.406893D+00 -0.624057D+00 -0.165003D+01
      2  -0.227085D+01  0.312797D+01 -0.381351D+01  0.961676D+01  0.776961D+00
      3  -0.757477D+00  0.443120D+01 -0.374048D+01  0.599215D+01 -0.598938D+01
                66            67            68            69            70 
      1  -0.169714D+01 -0.115860D+01 -0.592858D+00 -0.278110D+00 -0.111846D+01
      2   0.712219D+01  0.166626D+01 -0.428827D+00  0.394358D+00  0.141175D+01
      3   0.307298D+00 -0.113300D+01 -0.214957D+01  0.139360D+01 -0.891614D-02
                71            72            73            74            75 
      1   0.104770D+01 -0.924313D-01  0.132566D+01  0.146463D+01  0.591557D+00
      2  -0.364292D+00  0.717919D+00 -0.177228D+01 -0.848548D+00 -0.234740D+01
      3   0.458866D+00  0.142822D+01  0.177196D+01  0.102929D+01 -0.942869D-01
                76            77            78            79            80 
      1   0.531172D+00  0.540778D+01  0.364597D+01 -0.227496D+00  0.614415D+01
      2  -0.146668D+01 -0.548782D+01 -0.827748D+01 -0.286999D+01 -0.448347D+01
      3   0.161203D+01  0.546801D+01  0.539783D+01 -0.595482D+00  0.533532D+01
                81            82            83            84            85 
      1   0.637712D+01 -0.491618D+00  0.976419D-01  0.293541D+01 -0.826313D+00
      2  -0.120203D+02  0.219705D+01  0.206945D+00 -0.132473D+01  0.404017D+01
      3   0.489797D+01  0.261195D+01  0.744023D-01  0.131188D+01  0.461499D+01
                86            87            88            89            90 
      1   0.408191D+00 -0.216949D+01  0.646063D+01  0.310557D+01  0.592984D-01
      2   0.121394D+01  0.563262D+00 -0.119841D+02 -0.449434D+00  0.515573D-01
      3  -0.670663D+01  0.710722D+00 -0.696410D+00 -0.482931D+00 -0.509572D+01
                91            92            93            94            95 
      1   0.814252D+00  0.774270D+00 -0.151542D+01  0.154834D+01 -0.526394D-01
      2  -0.354061D+00  0.243723D+01  0.834392D-01  0.147396D+01 -0.344151D+01
      3  -0.242664D+00 -0.109613D+02 -0.262509D+01  0.414964D+01 -0.167496D+01
                96            97            98            99           100 
      1  -0.313138D+01 -0.505642D+01  0.125265D+01 -0.134650D+01  0.211582D+00
      2   0.497586D+01 -0.796016D+01  0.864450D+01  0.455087D+01  0.457816D-01
      3   0.208953D+01 -0.491540D+00  0.248894D+01 -0.456050D+01 -0.112392D+01
               101           102           103           104           105 
      1  -0.797356D+00 -0.104162D+01 -0.106357D+01 -0.329385D+01  0.234110D+01
      2  -0.382664D+00  0.791060D+01 -0.479426D+01 -0.183777D+00  0.193632D+00
      3  -0.736630D+01  0.234307D+00  0.108056D+02  0.515162D+00  0.167835D+01
               106           107           108           109           110 
      1  -0.183038D+01  0.107839D+02  0.319644D+01 -0.757096D+00 -0.100368D+01
      2   0.744524D+01  0.137764D+01  0.285040D+01 -0.110234D+01  0.243264D+01
      3   0.456111D+01  0.137805D+01  0.420170D+00  0.115500D+01 -0.113940D+02
               111           112           113           114           115 
      1   0.263972D+01 -0.173452D+01  0.150010D-01 -0.235939D+01  0.688141D+01
      2   0.253969D+01 -0.108134D+01  0.385215D+01 -0.529001D+01 -0.441048D+01
      3  -0.251085D+01  0.592998D+01  0.615896D+00 -0.253206D+01 -0.470105D+00
               116           117           118           119           120 
      1   0.318769D+01  0.134909D+01  0.389669D-01  0.183095D+01 -0.226275D+01
      2  -0.943610D+01 -0.470782D+01  0.393019D+01  0.175501D+01 -0.951597D+00
      3  -0.450708D+01  0.343683D+01 -0.171370D+01 -0.187819D+01 -0.238982D+01
               121           122           123           124           125 
      1   0.143993D+01  0.468774D+00 -0.249773D+01 -0.509745D+01  0.152718D+01
      2   0.181672D+01 -0.103964D+01 -0.128189D+01 -0.134054D+02 -0.128571D+01
      3   0.190756D+01  0.714372D+01  0.113672D+00 -0.372786D+01 -0.597063D+00
               126           127           128           129           130 
      1  -0.450121D+00  0.410478D+00 -0.681113D+00  0.209297D+01  0.163058D+00
      2  -0.282099D+01  0.169967D+01 -0.708257D+00  0.351001D+00 -0.729246D+00
      3   0.512189D+01 -0.908692D+01  0.342209D+01  0.785691D-01  0.693803D+01
               131           132           133           134           135 
      1  -0.540186D-01 -0.336899D+01 -0.122985D+00  0.183827D+01 -0.678081D-01
      2   0.121404D+01 -0.927771D+00 -0.157267D+01  0.590135D+00 -0.269339D+00
      3  -0.513109D+01 -0.117518D+01 -0.227077D+00 -0.731041D+00 -0.250757D+00
               136           137           138           139           140 
      1  -0.230484D+00  0.102351D+00 -0.187280D+01 -0.191938D+00  0.597400D+00
      2   0.439269D+00  0.811527D+00  0.197303D+01  0.624356D+00  0.311301D+01
      3  -0.811517D+00 -0.293391D+01 -0.560956D+00 -0.117843D+01 -0.128379D+02
               141           142           143           144           145 
      1  -0.445532D+01  0.569828D+00  0.206870D+01 -0.706537D+00 -0.122097D+00
      2   0.379081D+01 -0.549914D+00  0.263616D+00  0.919753D+00  0.163965D+01
      3  -0.275141D+01 -0.472565D+00 -0.341770D+01 -0.699656D+00 -0.206961D+00
               146           147           148           149           150 
      1   0.467496D+00 -0.485860D+00  0.962062D-01 -0.593385D-02 -0.391753D+00
      2  -0.898664D-01  0.669834D+01  0.169254D+01  0.370155D+00  0.738161D+00
      3  -0.559694D+01  0.171538D+00 -0.348665D+01 -0.857456D+00 -0.373372D+00
               151           152           153           154           155 
      1   0.241892D+00  0.591330D+00 -0.630348D-05  0.243110D+00 -0.719722D+00
      2  -0.265389D+01 -0.896714D-01  0.602248D+00  0.157578D+00 -0.103072D+00
      3  -0.133168D+01 -0.773143D+00 -0.137160D+00  0.146630D+01 -0.501791D+01
               156           157           158           159           160 
      1   0.227184D+01  0.296831D+00  0.303346D+00 -0.356527D+01 -0.896237D+00
      2   0.281735D+01  0.754234D+00 -0.148417D+01 -0.362993D+01 -0.724495D+00
      3  -0.224841D+00 -0.295489D+01  0.110300D+02  0.144041D+01 -0.105248D+01
               161           162           163           164           165 
      1   0.168592D+01 -0.431420D+00  0.212268D+00  0.336251D+00 -0.164457D+01
      2   0.429565D+00 -0.556828D+00 -0.192166D+01 -0.116235D+01  0.111483D-01
      3   0.253356D+01  0.400843D+00  0.630796D+01  0.334500D+01  0.121683D+01
               166           167           168           169           170 
      1   0.346508D+00  0.930295D+00 -0.404964D+01  0.431666D+00  0.247468D+01
      2  -0.186426D+01 -0.226762D+01 -0.653450D-01 -0.229611D+01 -0.782708D+00
      3   0.699603D+01  0.779374D+01  0.253708D+01  0.262819D+01  0.240389D+01
               171 
      1  -0.729257D+00
      2   0.417551D-01
      3   0.638244D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.341873D+02  0.246535D+01  0.517625D+00 -0.675713D+01 -0.645744D+01
      2   0.186991D+02 -0.347183D+01 -0.145041D+01  0.123961D+01  0.136677D+02
      3   0.154883D+02  0.100648D+01  0.932785D+00  0.551752D+01 -0.721026D+01
      4   0.567060D+01  0.440764D+01 -0.194226D+01  0.180078D+02 -0.193484D+02
      5  -0.540500D+01 -0.202174D+01  0.620142D+01 -0.970841D+01  0.110642D+02
      6  -0.184786D+01 -0.175971D+00 -0.235616D+01  0.415293D+01 -0.596294D+01
                 6             7             8             9            10 
      1   0.123915D+01  0.130939D+01  0.273434D+01 -0.315983D+01  0.956231D+01
      2   0.214174D+01 -0.146861D+01 -0.230026D+01 -0.536851D+01 -0.205630D+01
      3  -0.338089D+01  0.159222D+00 -0.434078D+00  0.852834D+01 -0.750601D+01
      4   0.116907D+02 -0.676784D+01  0.437878D+01 -0.538915D+01 -0.410117D+01
      5  -0.794129D+01  0.124658D+02 -0.583270D+01  0.936766D+01  0.491021D+01
      6   0.127021D+02 -0.168626D+01  0.749619D+01 -0.664086D+01  0.238398D+01
                11            12            13            14            15 
      1   0.103874D+01 -0.188027D+01  0.417236D+01  0.304340D+00  0.576730D+01
      2   0.121537D+01 -0.197033D+00  0.181166D+01 -0.461149D+00 -0.115642D+02
      3  -0.225411D+01  0.207730D+01 -0.598403D+01  0.156809D+00  0.579685D+01
      4  -0.117128D+02  0.354076D+01 -0.213058D+02 -0.530098D+01 -0.173319D+02
      5   0.427183D+01 -0.145569D+02  0.131025D+02 -0.164207D+02 -0.121093D+02
      6   0.892674D+00 -0.950495D+00 -0.504987D+01 -0.596292D+01 -0.146598D+02
                16            17            18            19            20 
      1   0.113598D+02  0.732956D+01 -0.154533D+01  0.631158D+02 -0.904103D+01
      2  -0.922265D+01 -0.288622D+01  0.431664D+01 -0.331250D+02  0.356341D+01
      3  -0.213710D+01 -0.444334D+01 -0.277131D+01 -0.299907D+02  0.547762D+01
      4   0.126711D+02 -0.102224D+02 -0.198650D+02 -0.225458D+02  0.118858D+02
      5  -0.249796D+02 -0.184057D+02 -0.163420D+01  0.143266D+02 -0.317418D+01
      6  -0.112827D+02 -0.111006D+02 -0.529749D+00 -0.220562D+01  0.137310D+01
                21            22            23            24            25 
      1   0.397322D+01 -0.288650D+00  0.343064D+01  0.446793D-01 -0.926413D+00
      2  -0.356997D+01 -0.126591D+01 -0.420915D+00 -0.642313D-01 -0.179415D-01
      3  -0.403251D+00  0.155456D+01 -0.300972D+01  0.195520D-01  0.944354D+00
      4  -0.266858D+01  0.775937D+01 -0.367623D+01  0.285686D+00  0.108877D+01
      5   0.958336D+01 -0.226483D-01  0.766296D+00 -0.448828D+00  0.579434D+01
      6  -0.218634D+01  0.148689D+01 -0.207357D+00  0.164344D+01 -0.108961D+01
                26            27            28            29            30 
      1   0.822927D+00  0.237038D+01  0.319424D+01  0.220381D+01  0.303978D+01
      2   0.174565D+00 -0.230186D+01 -0.189105D+01 -0.938381D+00 -0.149063D+01
      3  -0.997491D+00 -0.685235D-01 -0.130318D+01 -0.126543D+01 -0.154915D+01
      4  -0.479530D+00 -0.179532D+01  0.749750D+01  0.917131D+01  0.373768D+01
      5  -0.159997D+01  0.240184D+01  0.597228D+01  0.370817D+01  0.983446D+01
      6   0.105590D+01 -0.303284D+00  0.449192D+01  0.169328D+01  0.244528D+01
                31            32            33            34            35 
      1   0.238710D+01 -0.740669D+01 -0.563953D+01  0.176470D+01 -0.634923D+01
      2  -0.100005D+01  0.810010D+01  0.395099D+01 -0.197836D+01  0.185937D+01
      3  -0.138705D+01 -0.693402D+00  0.168853D+01  0.213654D+00  0.448986D+01
      4   0.114014D+02  0.187260D+02  0.111306D+02  0.525030D+01  0.121486D+02
      5   0.503113D+01  0.105667D+02  0.124813D+02  0.125500D+02  0.113678D+02
      6   0.407996D+01  0.129857D+02  0.124499D+02  0.536785D+01  0.123063D+02
                36            37            38            39            40 
      1  -0.837533D+01 -0.582617D+02 -0.159545D+02  0.563047D+01 -0.141443D+02
      2  -0.321363D+01  0.232157D+02  0.119264D+02  0.740531D+00  0.775988D+01
      3   0.115890D+02  0.350460D+02  0.402806D+01 -0.637100D+01  0.638446D+01
      4   0.121816D+02 -0.196568D+02  0.887270D+01 -0.288821D+01  0.110868D+02
      5   0.175926D+02  0.747913D+01 -0.570617D+00  0.119640D+02 -0.618662D+01
      6   0.135137D+02  0.101496D+01 -0.713139D+01  0.437484D+01 -0.492271D+01
                41            42            43            44            45 
      1   0.213238D+02 -0.188631D+01 -0.519723D+01 -0.286731D+01  0.104596D+02
      2  -0.135349D+02  0.153878D+02  0.830121D+01  0.121705D+02 -0.425038D+01
      3  -0.778887D+01 -0.135015D+02 -0.310398D+01 -0.930317D+01 -0.620923D+01
      4  -0.598671D+01  0.128355D+02 -0.118577D+02  0.856530D+01  0.182079D+02
      5   0.847111D+01  0.142871D+02  0.221523D+02  0.162221D+02 -0.316284D+01
      6   0.663532D+01 -0.447934D+01  0.911859D+01 -0.360754D+00 -0.966793D+01
                46            47            48            49            50 
      1  -0.166920D+02 -0.684844D+00 -0.221986D+01  0.245271D+01 -0.665257D+01
      2   0.465914D+01  0.214358D+00 -0.364105D+00 -0.392424D+01  0.113296D+02
      3   0.120328D+02  0.470487D+00  0.258396D+01  0.147153D+01 -0.467704D+01
      4   0.109553D+02  0.369453D+01  0.100572D+00 -0.697784D+01 -0.317787D+01
      5  -0.728120D+01 -0.652409D+00 -0.518106D+00 -0.496568D+01  0.137449D+01
      6  -0.323554D+01  0.603000D+00  0.506995D+00 -0.238296D+01  0.480118D+01
                51            52            53            54            55 
      1  -0.553178D+00 -0.817578D+01 -0.200393D+01 -0.846307D+01 -0.877451D+00
      2   0.627638D+01  0.354059D+00  0.318726D+01 -0.247664D+01  0.275699D+01
      3  -0.572320D+01  0.782172D+01 -0.118333D+01  0.109397D+02 -0.187954D+01
      4   0.956724D+00 -0.556554D+01  0.330344D+00  0.282744D+01  0.146567D+01
      5   0.155496D+01  0.499344D+01  0.226769D+01 -0.587645D+00  0.982635D+00
      6  -0.754715D+00 -0.357045D+00  0.740181D+01 -0.267916D+01 -0.249107D+01
                56            57            58            59            60 
      1   0.973326D+01 -0.517795D+01  0.106054D+02 -0.231346D+02  0.976788D+01
      2  -0.858607D+01  0.162576D+01 -0.665660D+01  0.262940D+02 -0.628207D+01
      3  -0.114718D+01  0.355219D+01 -0.394881D+01 -0.315944D+01 -0.348581D+01
      4  -0.266653D+01  0.114905D+01  0.351264D+01  0.225708D+02 -0.902769D+01
      5  -0.391381D+00 -0.219375D+01 -0.417933D+01 -0.651851D+01  0.679054D+01
      6   0.559866D+01 -0.423816D+01  0.163254D+01 -0.183311D+02  0.121604D+02
                61            62            63            64            65 
      1  -0.234993D+01  0.710516D+01 -0.894097D+01  0.837542D+02  0.995633D+01
      2   0.653398D+00 -0.409261D+01  0.274566D+01 -0.409372D+02 -0.257894D+01
      3   0.169653D+01 -0.301256D+01  0.619531D+01 -0.428170D+02 -0.737739D+01
      4   0.665753D+00 -0.593523D+01  0.354912D+01  0.276972D+02  0.158081D+02
      5   0.147942D+01  0.337664D+01 -0.475457D+01 -0.224528D+02 -0.424044D+01
      6  -0.190684D+01  0.103624D+02 -0.653693D+01 -0.378399D+01 -0.318127D+01
                66            67            68            69            70 
      1  -0.253008D+01  0.683655D+01  0.493692D+01  0.439965D+00  0.756846D+01
      2   0.443445D+01 -0.126964D+01 -0.497010D+00 -0.101829D+01 -0.164775D+01
      3  -0.190436D+01 -0.556691D+01 -0.443991D+01  0.578323D+00 -0.592071D+01
      4  -0.277772D+01  0.142873D+02  0.759787D+01 -0.239312D+01  0.243140D+01
      5   0.140899D+02 -0.196417D+01 -0.321976D+01  0.926636D+00  0.872652D+01
      6   0.339926D+01 -0.208518D+01 -0.208485D+01  0.258153D+01  0.241110D+01
                71            72            73            74            75 
      1   0.677529D+00  0.512322D+01  0.361897D+01 -0.799959D+00 -0.572297D+01
      2  -0.542975D+00 -0.405841D+01 -0.300049D+01 -0.126971D+00  0.180361D+00
      3  -0.134554D+00 -0.106482D+01 -0.618480D+00  0.926930D+00  0.554261D+01
      4   0.107467D+01  0.812242D+00 -0.402283D+00 -0.129481D+01  0.109970D+00
      5   0.128732D+00 -0.473250D+00 -0.199541D+01  0.143755D+01 -0.524837D+00
      6   0.160279D+01  0.452527D+00  0.148654D+01  0.189316D+01 -0.276584D+00
                76            77            78            79            80 
      1  -0.504671D+01 -0.634111D+01 -0.573144D+01 -0.538476D+01 -0.363541D+01
      2   0.356334D+01 -0.368460D+00 -0.756001D+01  0.351827D+01 -0.606246D+01
      3   0.148337D+01  0.670957D+01  0.132915D+02  0.186649D+01  0.969787D+01
      4   0.564119D+00 -0.104254D+02 -0.943154D+01 -0.207023D+00 -0.957151D+01
      5   0.671901D+01 -0.761698D+01 -0.149008D+02  0.641087D+01 -0.680796D+01
      6  -0.726529D-01  0.687965D+01  0.679865D+01 -0.227094D+00  0.672304D+01
                81            82            83            84            85 
      1  -0.133222D+02  0.243485D+01  0.161951D+02  0.551091D+01 -0.482161D+01
      2  -0.121601D+02 -0.394018D+01 -0.111113D+02 -0.327376D+00  0.117676D+02
      3   0.254823D+02  0.150533D+01 -0.508386D+01 -0.518353D+01 -0.694599D+01
      4  -0.867950D+01  0.802412D+01 -0.116889D+02 -0.479252D+00  0.183308D+01
      5  -0.201199D+02  0.397877D+01 -0.122316D+01 -0.171079D+01  0.303674D+01
      6   0.438949D+01  0.241355D+01 -0.199059D+01 -0.567621D+01  0.752876D+01
                86            87            88            89            90 
      1   0.930025D+00  0.412271D+01 -0.115007D+01  0.620793D+01 -0.138006D+02
      2  -0.387454D+01 -0.320621D+01  0.602926D+01 -0.835990D+01  0.176561D+01
      3   0.294452D+01 -0.916501D+00 -0.487919D+01  0.215197D+01  0.120350D+02
      4   0.141805D+02  0.275860D+01  0.248072D+01  0.178901D+00  0.337398D+01
      5   0.242186D+01  0.315034D+00  0.447638D+01  0.281176D+01 -0.114793D+01
      6  -0.534915D+01  0.481749D+01 -0.182828D+01  0.117809D+02 -0.665161D-01
                91            92            93            94            95 
      1   0.650633D+01 -0.210419D+02 -0.273498D+01  0.217920D+02  0.110909D+02
      2  -0.504554D+01  0.139526D+02  0.877795D+00 -0.196936D+02 -0.133690D+02
      3  -0.146079D+01  0.708935D+01  0.185719D+01 -0.209841D+01  0.227816D+01
      4  -0.124729D+02 -0.556527D+01 -0.444205D+01  0.950483D+01 -0.270190D+01
      5  -0.625884D+01 -0.278166D+01 -0.277110D+01  0.315506D+00 -0.754879D+01
      6  -0.511222D+01 -0.180799D+01  0.363989D+01 -0.587611D+01 -0.114938D+02
                96            97            98            99           100 
      1   0.334507D+01  0.459079D+01 -0.803874D+00 -0.578979D+01 -0.114205D+02
      2  -0.722838D+01 -0.838187D+01 -0.822010D+01 -0.564338D+01  0.710238D+01
      3   0.388331D+01  0.379107D+01  0.902398D+01  0.114332D+02  0.431809D+01
      4  -0.713966D+01 -0.472673D+01 -0.110535D+02  0.128153D+02 -0.206628D+01
      5   0.101893D+02  0.125623D+02  0.131685D+02  0.975450D+01 -0.634177D+01
      6   0.433831D+01  0.480601D+01  0.129521D+02  0.355094D+01  0.713382D+00
               101           102           103           104           105 
      1  -0.218456D+01 -0.697160D+01  0.778771D+01 -0.196270D+02 -0.822702D+01
      2   0.179210D+01  0.328478D+01 -0.568535D+01  0.172195D+02  0.113555D+02
      3   0.392464D+00  0.368682D+01 -0.210236D+01  0.240745D+01 -0.312852D+01
      4   0.227330D+02  0.476347D+00 -0.185856D+02 -0.499343D+01 -0.437210D+01
      5   0.218548D+00  0.179049D+02 -0.137981D+02 -0.170054D+01  0.385877D+00
      6   0.517366D+00  0.218615D+01 -0.323998D+01  0.451961D+01 -0.393624D+01
               106           107           108           109           110 
      1  -0.658602D+01 -0.903453D+01  0.128302D+02  0.694887D+00  0.222105D+02
      2   0.136778D+01  0.665896D+01 -0.160175D+02 -0.374894D+01 -0.136285D+02
      3   0.521824D+01  0.237558D+01  0.318733D+01  0.305405D+01 -0.858200D+01
      4  -0.143028D+02 -0.816496D+00  0.373463D+00  0.173723D+02  0.291881D+01
      5   0.336441D+02  0.182777D+01  0.627539D+01 -0.113067D+00  0.191313D+01
      6   0.719274D+00  0.664722D+01 -0.479996D+01  0.144405D+01 -0.194295D+01
               111           112           113           114           115 
      1   0.611001D+01 -0.251260D+02  0.431210D+01  0.124757D+01 -0.910375D+01
      2   0.393857D+00  0.239240D+02 -0.755430D+01 -0.143352D+01  0.108701D+02
      3  -0.650387D+01  0.120192D+01  0.324220D+01  0.185950D+00 -0.176634D+01
      4   0.391967D+01  0.399290D+01  0.101475D+02  0.108703D+02 -0.247575D+00
      5   0.501259D+01 -0.555970D+01  0.909928D+01 -0.106999D+02  0.184990D+02
      6  -0.634165D+01  0.817255D+01 -0.703313D+01  0.494245D+01 -0.591760D+01
               116           117           118           119           120 
      1   0.570057D+01  0.193539D+01  0.959483D+01 -0.116850D+02  0.162632D+00
      2  -0.960901D+01 -0.823040D+01 -0.669291D+01  0.922829D+01 -0.184966D+01
      3   0.390843D+01  0.629501D+01 -0.290192D+01  0.245676D+01  0.168702D+01
      4   0.979275D+01 -0.133313D+02 -0.968257D+01 -0.178417D+02 -0.449750D+01
      5  -0.135062D+02 -0.998115D+01  0.159161D+01 -0.326481D+01 -0.472964D+01
      6   0.116921D+02 -0.565447D+00 -0.261269D+01 -0.266976D+01  0.447560D+01
               121           122           123           124           125 
      1   0.235437D+01  0.791169D+01  0.582883D+01  0.271414D+01  0.362431D+01
      2  -0.886734D+01 -0.999914D+01 -0.743358D+01 -0.504169D+01 -0.102009D+02
      3   0.651297D+01  0.208745D+01  0.160475D+01  0.232755D+01  0.657655D+01
      4   0.113681D+02 -0.129188D+02 -0.228348D+01 -0.612731D+00 -0.416332D+01
      5  -0.773672D+00 -0.272477D+01 -0.128028D+01  0.147456D+01 -0.558768D+01
      6  -0.617801D+01 -0.108917D+02  0.215541D+01  0.174748D+01  0.107181D+02
               126           127           128           129           130 
      1  -0.150381D+02 -0.455038D+01  0.807260D+01  0.997482D+00  0.840038D+01
      2  -0.109190D+01  0.643442D+01 -0.111655D+02 -0.999890D+00 -0.109369D+02
      3   0.161300D+02 -0.188404D+01  0.309291D+01  0.240804D-02  0.253653D+01
      4  -0.686048D+01 -0.831756D+01  0.779727D+01  0.100627D+01  0.771960D+01
      5  -0.553032D+01 -0.638737D+00  0.123145D+01  0.126066D+01  0.129636D+01
      6   0.400604D+01  0.822245D+00 -0.124724D+01 -0.250959D+01 -0.219821D+01
               131           132           133           134           135 
      1  -0.220166D+02 -0.351191D+01  0.132343D+01 -0.371970D+01 -0.108049D+01
      2   0.294193D+02  0.277697D+01 -0.186523D+01  0.451107D+01  0.148404D+01
      3  -0.740262D+01  0.734938D+00  0.541791D+00 -0.791373D+00 -0.403549D+00
      4  -0.812711D+01 -0.970428D+00  0.997241D+00 -0.117964D+01 -0.173412D+01
      5  -0.131806D+01 -0.133493D+01  0.118202D+01 -0.692295D+00 -0.720673D+00
      6   0.465480D+01  0.572112D+01 -0.113274D+01  0.237640D+01  0.137214D+01
               136           137           138           139           140 
      1   0.643956D+01  0.486097D+01  0.113350D+01  0.181686D+00 -0.138975D+02
      2   0.239426D+01  0.472655D+01  0.173074D+00  0.100147D+02  0.337075D+02
      3  -0.883382D+01 -0.958752D+01 -0.130658D+01 -0.101964D+02 -0.198099D+02
      4   0.193690D+02  0.233636D+02  0.581164D+01  0.246175D+02  0.450054D+02
      5   0.522906D+01  0.579123D+01  0.559516D+01  0.607679D+01  0.101481D+02
      6   0.385166D+01  0.446038D+01  0.342376D+01  0.581377D+01  0.134933D+02
               141           142           143           144           145 
      1  -0.360028D+01  0.711889D+00 -0.278196D+01 -0.171833D+01  0.982580D+02
      2   0.513243D+01  0.182815D+01  0.721814D+01  0.254285D+01 -0.558136D+02
      3  -0.153215D+01 -0.254004D+01 -0.443618D+01 -0.824520D+00 -0.424444D+02
      4   0.103544D+02  0.712835D+01  0.124259D+02  0.437285D+01  0.916670D+01
      5   0.717629D+01  0.291023D+01  0.376000D+01  0.288879D+01  0.120718D+02
      6   0.978592D+01  0.251743D+01  0.543365D+01  0.388349D+01 -0.238109D+01
               146           147           148           149           150 
      1   0.637522D+01  0.764507D+01  0.460316D+01  0.902470D+01  0.191346D+01
      2  -0.311878D+01 -0.533739D+01 -0.206232D+01 -0.416033D+01 -0.165893D+01
      3  -0.325644D+01 -0.230768D+01 -0.254084D+01 -0.486437D+01 -0.254530D+00
      4   0.976287D+01  0.427751D+00  0.146637D+02  0.296436D+01  0.144948D+01
      5   0.505806D+00  0.116516D+02  0.378617D+01  0.168083D+01  0.130495D+01
      6   0.466726D+00  0.297963D+00  0.101034D+01 -0.136847D+00  0.159268D+01
               151           152           153           154           155 
      1   0.988035D+01  0.220446D+01  0.341772D+01  0.195496D+02 -0.119645D+02
      2  -0.564811D+01 -0.126021D+01 -0.226118D+01 -0.288826D+01 -0.215771D+01
      3  -0.423223D+01 -0.944255D+00 -0.115655D+01 -0.166613D+02  0.141222D+02
      4   0.413165D+01  0.161570D+01  0.825597D+00 -0.311368D+02  0.297574D+02
      5   0.348145D+01  0.540256D+00  0.197270D+01 -0.590002D+01  0.421358D+01
      6   0.118992D+00  0.713276D+00  0.512599D+00  0.207986D+01 -0.187259D+01
               156           157           158           159           160 
      1  -0.235933D+01 -0.826323D+01  0.142419D+01  0.447393D+00 -0.524801D+00
      2   0.783369D+00 -0.641871D+01  0.184517D+02  0.106362D+01 -0.150948D+01
      3   0.157596D+01  0.146819D+02 -0.198759D+02 -0.151101D+01  0.203428D+01
      4   0.416550D+01  0.325854D+02 -0.438073D+02 -0.760413D+01  0.552085D+01
      5   0.627240D+01  0.661833D+01 -0.798140D+01 -0.669215D+01  0.266141D+01
      6  -0.327658D+01 -0.412908D+01  0.600098D+01  0.654120D+01 -0.175736D+01
               161           162           163           164           165 
      1  -0.663568D+00 -0.219812D+00 -0.508155D+01 -0.827567D+01 -0.333417D+01
      2   0.351501D+01  0.103735D+01  0.605114D+01  0.952494D+01  0.219775D+01
      3  -0.285144D+01 -0.817542D+00 -0.969587D+00 -0.124927D+01  0.113641D+01
      4  -0.763810D+01 -0.316969D+01  0.427368D+01  0.705239D+01  0.163089D+01
      5  -0.239929D+01 -0.162934D+01  0.118684D+01  0.140963D+01  0.182097D+01
      6   0.274426D+01  0.206664D+01  0.296794D+01  0.452142D+01  0.306202D+01
               166           167           168           169           170 
      1  -0.786575D+01 -0.301260D+02 -0.926804D+01 -0.271890D+01 -0.880097D+01
      2   0.917964D+01  0.379910D+02  0.787125D+01  0.296472D+01  0.998604D+01
      3  -0.131390D+01 -0.786504D+01  0.139679D+01 -0.245822D+00 -0.118507D+01
      4   0.570411D+01  0.381630D+00 -0.435683D+00  0.192188D+01  0.548735D+00
      5   0.117581D+01 -0.543379D+00 -0.445989D-02  0.125479D+01  0.470484D+00
      6   0.359916D+01  0.138638D+02  0.978559D+01  0.148871D+01  0.591052D+01
               171 
      1  -0.414015D+01
      2   0.372423D+01
      3   0.415919D+00
      4   0.148502D+01
      5   0.830414D+00
      6   0.442281D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:45:24 2021, MaxMem=  5637144576 cpu:           11156.6 elap:            1398.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.91311 -10.08440 -10.03645 -10.02963 -10.02906
 Alpha  occ. eigenvalues --  -10.02794 -10.02730 -10.02396 -10.02349  -1.09826
 Alpha  occ. eigenvalues --   -0.94179  -0.86587  -0.82873  -0.81029  -0.72876
 Alpha  occ. eigenvalues --   -0.69355  -0.66386  -0.60567  -0.59722  -0.54905
 Alpha  occ. eigenvalues --   -0.53793  -0.52284  -0.51883  -0.49982  -0.48047
 Alpha  occ. eigenvalues --   -0.46665  -0.45890  -0.43554  -0.41708  -0.40676
 Alpha  occ. eigenvalues --   -0.36659  -0.34068  -0.33032
 Alpha virt. eigenvalues --    0.02740   0.03485   0.03981   0.04687   0.04961
 Alpha virt. eigenvalues --    0.05129   0.05317   0.05658   0.06952   0.07222
 Alpha virt. eigenvalues --    0.07939   0.08134   0.10199   0.11070   0.12074
 Alpha virt. eigenvalues --    0.13008   0.13462   0.13623   0.14176   0.14385
 Alpha virt. eigenvalues --    0.14653   0.14733   0.15044   0.15388   0.16053
 Alpha virt. eigenvalues --    0.16517   0.17128   0.17651   0.17971   0.18440
 Alpha virt. eigenvalues --    0.18875   0.19115   0.19530   0.20546   0.20852
 Alpha virt. eigenvalues --    0.21609   0.23153   0.24354   0.24606   0.25363
 Alpha virt. eigenvalues --    0.25961   0.26013   0.27108   0.27699   0.28405
 Alpha virt. eigenvalues --    0.29435   0.29884   0.30228   0.30723   0.31251
 Alpha virt. eigenvalues --    0.31443   0.31894   0.32307   0.32949   0.33521
 Alpha virt. eigenvalues --    0.34639   0.34797   0.35428   0.36468   0.36942
 Alpha virt. eigenvalues --    0.37516   0.38242   0.38507   0.39308   0.39548
 Alpha virt. eigenvalues --    0.40518   0.41216   0.41363   0.43063   0.43821
 Alpha virt. eigenvalues --    0.44556   0.45727   0.46254   0.47396   0.48077
 Alpha virt. eigenvalues --    0.49036   0.49305   0.50608   0.51036   0.51715
 Alpha virt. eigenvalues --    0.51952   0.52768   0.53735   0.54236   0.55431
 Alpha virt. eigenvalues --    0.56690   0.57187   0.57469   0.58347   0.59711
 Alpha virt. eigenvalues --    0.59926   0.60189   0.61085   0.61880   0.62466
 Alpha virt. eigenvalues --    0.63140   0.63870   0.64017   0.64976   0.65546
 Alpha virt. eigenvalues --    0.65760   0.66553   0.67507   0.67801   0.68696
 Alpha virt. eigenvalues --    0.69348   0.70132   0.71231   0.72001   0.72124
 Alpha virt. eigenvalues --    0.72452   0.73181   0.73884   0.74547   0.75561
 Alpha virt. eigenvalues --    0.76682   0.77343   0.79167   0.79792   0.80575
 Alpha virt. eigenvalues --    0.81433   0.83363   0.83503   0.84819   0.85078
 Alpha virt. eigenvalues --    0.85323   0.85726   0.85877   0.86820   0.87849
 Alpha virt. eigenvalues --    0.89738   0.89979   0.91066   0.92173   0.94213
 Alpha virt. eigenvalues --    0.94373   0.96092   0.97346   0.98419   1.00118
 Alpha virt. eigenvalues --    1.01777   1.02837   1.04346   1.05592   1.07048
 Alpha virt. eigenvalues --    1.08806   1.12183   1.13283   1.14785   1.17625
 Alpha virt. eigenvalues --    1.18826   1.19857   1.21793   1.24493   1.26455
 Alpha virt. eigenvalues --    1.29717   1.35830   1.37245   1.37640   1.37892
 Alpha virt. eigenvalues --    1.39522   1.40964   1.42493   1.43570   1.44277
 Alpha virt. eigenvalues --    1.45472   1.47227   1.47790   1.49572   1.50135
 Alpha virt. eigenvalues --    1.50987   1.52294   1.53524   1.54431   1.56516
 Alpha virt. eigenvalues --    1.57147   1.57602   1.58943   1.60759   1.61720
 Alpha virt. eigenvalues --    1.63588   1.66035   1.68144   1.69866   1.70773
 Alpha virt. eigenvalues --    1.72213   1.73397   1.74253   1.74850   1.77373
 Alpha virt. eigenvalues --    1.77955   1.78354   1.79565   1.80804   1.82988
 Alpha virt. eigenvalues --    1.84564   1.86049   1.87176   1.88439   1.89569
 Alpha virt. eigenvalues --    1.91918   1.92477   1.93026   1.93761   1.96958
 Alpha virt. eigenvalues --    1.97598   2.00108   2.01189   2.01768   2.03366
 Alpha virt. eigenvalues --    2.06182   2.06845   2.08030   2.10689   2.11561
 Alpha virt. eigenvalues --    2.13051   2.13942   2.15831   2.17618   2.18519
 Alpha virt. eigenvalues --    2.18948   2.20657   2.23171   2.24388   2.27322
 Alpha virt. eigenvalues --    2.29917   2.32828   2.35202   2.35594   2.38256
 Alpha virt. eigenvalues --    2.40804   2.42132   2.49782   2.52319   2.53337
 Alpha virt. eigenvalues --    2.55783   2.58197   2.59270   2.61464   2.62465
 Alpha virt. eigenvalues --    2.68640   2.72272   2.75010   2.79185   2.82058
 Alpha virt. eigenvalues --    2.83464   2.86374   2.88427   2.90643   2.93230
 Alpha virt. eigenvalues --    3.05510   3.07048   3.09771   3.13046   3.21433
 Alpha virt. eigenvalues --    3.42523   3.46328   3.51563   3.53357   3.56478
 Alpha virt. eigenvalues --    3.62507   3.67930   4.07982   4.56011
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.563771  -0.451434   0.299284  -0.039437   0.001886   0.017436
     2  C   -0.451434   9.929285  -0.025280  -0.566212   0.403244  -0.826829
     3  H    0.299284  -0.025280   0.626682  -0.032103  -0.045547   0.055475
     4  H   -0.039437  -0.566212  -0.032103   1.933374   0.055588   0.018325
     5  C    0.001886   0.403244  -0.045547   0.055588   4.367044   0.276328
     6  C    0.017436  -0.826829   0.055475   0.018325   0.276328  19.579091
     7  H   -0.006924   0.186881   0.015034  -0.093608   0.226497  -0.212541
     8  H    0.032800  -0.240528  -0.014607  -0.029660   0.200768   0.455691
     9  H    0.019442  -0.066328  -0.009624   0.103720   0.283712  -0.305868
    10  C    0.270980  -0.990693  -0.052827  -0.105610  -0.377739  -8.834797
    11  C   -0.054614  -0.268993   0.003949  -0.026922   0.212557   3.997235
    12  C    0.027985   0.132787  -0.001019   0.011403  -0.156303  -4.922128
    13  C   -0.059811  -0.337149   0.002404   0.040449   0.236929   4.019475
    14  C    0.049864  -1.728632  -0.016223   0.171074  -0.469028  -9.745114
    15  H   -0.106517   0.197084   0.003444   0.017517   0.043666   0.777696
    16  H   -0.000119   0.045480   0.000235   0.001047  -0.004834  -0.403257
    17  H    0.000870  -0.017006  -0.000023  -0.000056   0.000175   0.149297
    18  H   -0.001201   0.025043   0.000226   0.003173  -0.003794  -0.425382
    19  H   -0.000566   0.025876  -0.003052  -0.035346   0.071897   0.855592
               7          8          9         10         11         12
     1  O   -0.006924   0.032800   0.019442   0.270980  -0.054614   0.027985
     2  C    0.186881  -0.240528  -0.066328  -0.990693  -0.268993   0.132787
     3  H    0.015034  -0.014607  -0.009624  -0.052827   0.003949  -0.001019
     4  H   -0.093608  -0.029660   0.103720  -0.105610  -0.026922   0.011403
     5  C    0.226497   0.200768   0.283712  -0.377739   0.212557  -0.156303
     6  C   -0.212541   0.455691  -0.305868  -8.834797   3.997235  -4.922128
     7  H    1.631775  -0.323575  -0.242183  -0.025811  -0.018067   0.006065
     8  H   -0.323575   1.724782  -0.376998  -0.059090   0.028945  -0.013452
     9  H   -0.242183  -0.376998   1.516655   0.115606  -0.061188   0.026777
    10  C   -0.025811  -0.059090   0.115606  20.970770  -6.352687   4.428481
    11  C   -0.018067   0.028945  -0.061188  -6.352687  14.247423  -4.960957
    12  C    0.006065  -0.013452   0.026777   4.428481  -4.960957  12.053487
    13  C    0.015617   0.019644  -0.031698  -5.324982   4.876889  -5.085416
    14  C    0.054526  -0.124714   0.162918   2.787130  -5.434076   4.588607
    15  H    0.014573   0.001318  -0.031207  -2.137593   0.773442  -0.298445
    16  H   -0.002252   0.001194  -0.001920   1.148598  -1.637011   0.588454
    17  H    0.000262  -0.000151   0.000889  -0.206156   0.681619  -1.385743
    18  H   -0.000855   0.000904  -0.001574   0.228802  -0.377375   0.648127
    19  H   -0.030305  -0.003949   0.018073  -0.201479   0.167867  -0.281097
              13         14         15         16         17         18
     1  O   -0.059811   0.049864  -0.106517  -0.000119   0.000870  -0.001201
     2  C   -0.337149  -1.728632   0.197084   0.045480  -0.017006   0.025043
     3  H    0.002404  -0.016223   0.003444   0.000235  -0.000023   0.000226
     4  H    0.040449   0.171074   0.017517   0.001047  -0.000056   0.003173
     5  C    0.236929  -0.469028   0.043666  -0.004834   0.000175  -0.003794
     6  C    4.019475  -9.745114   0.777696  -0.403257   0.149297  -0.425382
     7  H    0.015617   0.054526   0.014573  -0.002252   0.000262  -0.000855
     8  H    0.019644  -0.124714   0.001318   0.001194  -0.000151   0.000904
     9  H   -0.031698   0.162918  -0.031207  -0.001920   0.000889  -0.001574
    10  C   -5.324982   2.787130  -2.137593   1.148598  -0.206156   0.228802
    11  C    4.876889  -5.434076   0.773442  -1.637011   0.681619  -0.377375
    12  C   -5.085416   4.588607  -0.298445   0.588454  -1.385743   0.648127
    13  C   13.939359  -6.023207   0.228037  -0.413472   0.632384  -1.545861
    14  C   -6.023207  22.438789  -0.405751   0.232243  -0.258971   1.010230
    15  H    0.228037  -0.405751   3.078603  -0.204265  -0.024152   0.019147
    16  H   -0.413472   0.232243  -0.204265   2.491079  -0.152102  -0.030388
    17  H    0.632384  -0.258971  -0.024152  -0.152102   2.403439  -0.145787
    18  H   -1.545861   1.010230   0.019147  -0.030388  -0.145787   2.479096
    19  H    0.577242  -2.065057  -0.054655   0.016436  -0.023596  -0.212452
              19
     1  O   -0.000566
     2  C    0.025876
     3  H   -0.003052
     4  H   -0.035346
     5  C    0.071897
     6  C    0.855592
     7  H   -0.030305
     8  H   -0.003949
     9  H    0.018073
    10  C   -0.201479
    11  C    0.167867
    12  C   -0.281097
    13  C    0.577242
    14  C   -2.065057
    15  H   -0.054655
    16  H    0.016436
    17  H   -0.023596
    18  H   -0.212452
    19  H    3.142365
 Mulliken charges:
               1
     1  O   -0.563698
     2  C    0.573403
     3  H    0.193574
     4  H   -0.426718
     5  C    0.676953
     6  C    1.474274
     7  H   -0.195110
     8  H   -0.279322
     9  H   -0.119203
    10  C    0.719098
    11  C    0.201964
    12  C    0.592385
    13  C    0.233166
    14  C    0.775391
    15  H   -0.891943
    16  H   -0.675146
    17  H   -0.655195
    18  H   -0.670081
    19  H   -0.963793
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.370124
     2  C    0.146685
     5  C    0.083318
     6  C    1.474274
    10  C   -0.172845
    11  C   -0.473182
    12  C   -0.062810
    13  C   -0.436915
    14  C   -0.188402
 Electronic spatial extent (au):  <R**2>=           1265.7642
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1254    Y=             -1.2073    Z=              0.6071  Tot=              1.7586
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -44.7067   YY=            -52.4807   ZZ=            -58.4894
   XY=              1.4998   XZ=              0.1022   YZ=              2.7151
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.1856   YY=             -0.5884   ZZ=             -6.5971
   XY=              1.4998   XZ=              0.1022   YZ=              2.7151
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -29.1168  YYY=              1.8522  ZZZ=             -1.1493  XYY=              2.1995
  XXY=              2.4038  XXZ=             -1.7734  XZZ=             -7.8660  YZZ=             -0.4143
  YYZ=              0.4381  XYZ=              1.0956
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1004.5345 YYYY=           -365.8582 ZZZZ=           -172.9170 XXXY=            -29.3224
 XXXZ=             30.9595 YYYX=             -6.0143 YYYZ=              8.3813 ZZZX=              3.9566
 ZZZY=             -0.4268 XXYY=           -250.2367 XXZZ=           -239.5341 YYZZ=            -95.6929
 XXYZ=              5.3797 YYXZ=              1.8845 ZZXY=              0.0581
 N-N= 4.258905530360D+02 E-N=-1.748764209926D+03  KE= 3.831390782523D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:45:24 2021, MaxMem=  5637144576 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.53321986D-01-4.49613410D-01 2.20954456D-01
 Polarizability= 1.21709584D+02 1.23939462D+00 9.77839299D+01
                 1.42346116D+00 6.58963769D+00 6.53077565D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6712   -0.6711        0.5554    0.5549
 2      0.6712    0.6711       -3.1904   -3.1903      -12.6420  -12.6420
 3     -0.5554   -0.5549       28.7778   28.7766        3.1893    3.1903
 4      3.1904    3.1903       -0.0000    0.0000       -0.5548   -0.5549
 5    -16.1358  -16.1346        0.5548    0.5549       -0.6704   -0.6711
 6     -3.1893   -3.1903        0.6704    0.6711       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.0132    2.0132        1.6648    1.6648
 2      9.5708    9.5708        0.0000    0.0000        1.6648    1.6648
 3      9.5708    9.5708        2.0132    2.0132       -0.0000    0.0000
 4      2.0132    2.0132       -9.5708   -9.5708      -37.9260  -37.9260
 5     -1.6648   -1.6648       86.3299   86.3299        9.5708    9.5708
 6    -48.4039  -48.4039        1.6648    1.6648       -2.0132   -2.0132
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0142    0.0000        2.6643    2.6842       -2.1697   -2.2198
 2     -2.6898   -2.6842       12.7724   12.7611       50.5372   50.5679
 3      2.1938    2.2198     -115.0987 -115.1065      -12.7645  -12.7611
 4    -12.7562  -12.7611       -0.0110    0.0000        2.2284    2.2198
 5     64.5636   64.5386       -2.2253   -2.2198        2.6784    2.6842
 6     12.7542   12.7611       -2.6937   -2.6842        0.0135    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0016    0.0000        0.2936    0.2772      -10.2668  -10.2234
 2     -0.3061   -0.2772      -42.3970  -42.4060      -30.2421  -30.2369
 3     10.2094   10.2234      -23.5659  -23.6158       42.4463   42.4060
 4     42.4033   42.4060       -0.0032    0.0000       10.2426   10.2234
 5     53.8896   53.8527      -10.2005  -10.2234        0.2078    0.2772
 6    -42.4037  -42.4060       -0.3014   -0.2772        0.0503    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     19.5846   19.5897        2.7653    2.8006       20.5342   20.5145
 2     84.6760   84.6785       -5.4507   -5.4290       20.5163   20.5145
 3     84.6729   84.6785        2.7706    2.8006       18.5897   18.5726
 4      8.1678    8.2296      -65.0532  -65.0888      -38.4497  -38.4785
 5     -1.9412   -1.9418      -47.0655  -47.1180       65.1065   65.0888
 6     85.6255   85.5965        2.0019    1.9418       -8.1748   -8.2296
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.6511   -1.4476   -0.6406    0.0002    0.0005    0.0010
 Low frequencies ---   33.5755  131.6374  217.9885
 Diagonal vibrational polarizability:
        7.4278117       8.9598661      77.3602705
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     33.5615               131.6371               217.9884
 Red. masses --      3.5907                 3.4745                 2.4037
 Frc consts  --      0.0024                 0.0355                 0.0673
 IR Inten    --      1.3167                 3.6066                 2.3221
 RamAct Fr= 1--      3.5087                 3.7384                 0.1843
  Dep-P Fr= 1--      0.7500                 0.7285                 0.4715
  Dep-U Fr= 1--      0.8571                 0.8429                 0.6408
 Alpha2 Fr= 1--      0.0000                 0.0014                 0.0010
 Beta2  Fr= 1--      0.5012                 0.5252                 0.0197
 AlphaG Fr= 1--     -0.0000                 0.0028                -0.0012
 Gamma2 Fr= 1--     -0.6085                -0.4663                -0.1074
 Delta2 Fr= 1--     -0.6650                -0.2040                -0.0352
 Raman1 Fr= 1--      14.035                 14.953                  0.737
 ROA1   Fr= 1--     -79.695                -51.292                -11.441
 CID1   Fr= 1--      -5.678                 -3.430                -15.520
 Raman2 Fr= 1--       6.015                  6.302                  0.236
 ROA2   Fr= 1--      -9.285                 -9.559                 -2.297
 CID2   Fr= 1--      -1.544                 -1.517                 -9.724
 Raman3 Fr= 1--      12.030                 12.604                  0.472
 ROA3   Fr= 1--     -79.695                -51.292                -11.441
 CID3   Fr= 1--      -6.625                 -4.069                -24.218
 RC180  Fr= 1--       0.714                  0.686                  0.282
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.11   0.19    -0.12  -0.02   0.02     0.15   0.08   0.07
     2   6     0.00   0.05  -0.05    -0.01   0.02  -0.04    -0.02  -0.02  -0.01
     3   1    -0.02   0.07   0.15    -0.10  -0.04   0.24     0.14   0.23   0.14
     4   1     0.01   0.19  -0.19    -0.09  -0.02   0.01    -0.16   0.02  -0.02
     5   6     0.00  -0.21  -0.14     0.25   0.03   0.08    -0.00   0.06   0.03
     6   6     0.00   0.03  -0.02    -0.00   0.05  -0.18    -0.01  -0.13  -0.06
     7   1     0.01  -0.26  -0.32     0.34   0.06   0.03    -0.32  -0.14  -0.15
     8   1     0.01  -0.20  -0.17     0.23  -0.02   0.30    -0.07   0.48   0.18
     9   1    -0.01  -0.36  -0.01     0.37   0.06   0.02     0.39  -0.11   0.08
    10   6     0.03   0.06  -0.16    -0.00   0.04  -0.14    -0.09  -0.09  -0.06
    11   6     0.03   0.04  -0.15    -0.02  -0.03   0.06    -0.12   0.02  -0.01
    12   6     0.00  -0.01   0.01    -0.04  -0.07   0.20    -0.05   0.07   0.03
    13   6    -0.03  -0.04   0.15    -0.04  -0.03   0.06     0.05   0.03   0.01
    14   6    -0.03  -0.02   0.14    -0.02   0.03  -0.14     0.06  -0.08  -0.04
    15   1     0.05   0.09  -0.27     0.01   0.05  -0.19    -0.16  -0.14  -0.09
    16   1     0.06   0.06  -0.26    -0.01  -0.05   0.14    -0.20   0.05  -0.00
    17   1     0.00  -0.03   0.02    -0.06  -0.13   0.39    -0.06   0.14   0.08
    18   1    -0.05  -0.08   0.27    -0.05  -0.06   0.14     0.12   0.08   0.04
    19   1    -0.05  -0.04   0.25    -0.03   0.05  -0.19     0.14  -0.12  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    258.1857               272.1735               307.8811
 Red. masses --      1.0669                 1.3228                 3.0656
 Frc consts  --      0.0419                 0.0577                 0.1712
 IR Inten    --     96.3890                 8.1811                 1.1234
 RamAct Fr= 1--      1.1859                 0.1827                 1.4116
  Dep-P Fr= 1--      0.7187                 0.7021                 0.2092
  Dep-U Fr= 1--      0.8364                 0.8250                 0.3460
 Alpha2 Fr= 1--      0.0006                 0.0002                 0.0187
 Beta2  Fr= 1--      0.1653                 0.0251                 0.0814
 AlphaG Fr= 1--     -0.0035                 0.0005                -0.0014
 Gamma2 Fr= 1--      0.4746                 0.2211                -0.4030
 Delta2 Fr= 1--      0.1762                -0.0752                -0.0061
 Raman1 Fr= 1--       4.744                  0.731                  5.646
 ROA1   Fr= 1--      51.202                 18.822                -38.887
 CID1   Fr= 1--      10.794                 25.756                 -6.887
 Raman2 Fr= 1--       1.984                  0.301                  0.977
 ROA2   Fr= 1--       9.982                  5.909                 -9.623
 CID2   Fr= 1--       5.032                 19.601                 -9.852
 Raman3 Fr= 1--       3.967                  0.603                  1.954
 ROA3   Fr= 1--      51.202                 18.822                -38.887
 CID3   Fr= 1--      12.905                 31.219                -19.905
 RC180  Fr= 1--       0.673                  0.650                 -0.308
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.02  -0.03    -0.06  -0.05  -0.07     0.07   0.06  -0.09
     2   6    -0.00  -0.00  -0.01     0.00   0.00  -0.01     0.02   0.04  -0.09
     3   1     0.03   0.29   0.92    -0.04  -0.01   0.20     0.08   0.18   0.09
     4   1    -0.00  -0.01  -0.00     0.05  -0.03   0.01    -0.00   0.06  -0.10
     5   6    -0.04   0.02  -0.02     0.02  -0.02  -0.01     0.24  -0.03  -0.03
     6   6     0.01  -0.01   0.00     0.00   0.04   0.03    -0.03  -0.01   0.02
     7   1     0.03   0.08   0.07    -0.35  -0.28  -0.33     0.52   0.09  -0.07
     8   1    -0.02  -0.10  -0.09    -0.06   0.48   0.15     0.25  -0.28   0.16
     9   1    -0.16   0.08  -0.05     0.47  -0.31   0.15     0.23   0.03  -0.08
    10   6     0.01  -0.01  -0.00     0.03   0.03   0.05    -0.08  -0.03   0.14
    11   6     0.00   0.00  -0.00     0.04   0.00   0.01    -0.08  -0.01   0.04
    12   6     0.01   0.01   0.00     0.02  -0.01  -0.03    -0.08   0.03  -0.14
    13   6     0.02   0.00   0.00    -0.02  -0.00   0.01    -0.07  -0.02   0.03
    14   6     0.02  -0.01   0.00    -0.02   0.03   0.04    -0.08  -0.05   0.14
    15   1    -0.00  -0.01  -0.01     0.05   0.04   0.07    -0.11  -0.06   0.21
    16   1    -0.00   0.01  -0.01     0.07  -0.01  -0.00    -0.07  -0.01   0.04
    17   1     0.01   0.01  -0.00     0.02  -0.03  -0.07    -0.06   0.07  -0.33
    18   1     0.02   0.01   0.00    -0.04  -0.02  -0.00    -0.06  -0.02   0.04
    19   1     0.03  -0.01  -0.00    -0.05   0.04   0.04    -0.11  -0.07   0.23
                      7                      8                      9
                      A                      A                      A
 Frequencies --    376.0551               413.8222               482.0566
 Red. masses --      4.2985                 2.9661                 3.3005
 Frc consts  --      0.3582                 0.2993                 0.4519
 IR Inten    --      6.2454                 0.2157                 1.6721
 RamAct Fr= 1--      1.4506                 0.0086                 2.9675
  Dep-P Fr= 1--      0.4855                 0.7059                 0.0874
  Dep-U Fr= 1--      0.6537                 0.8276                 0.1607
 Alpha2 Fr= 1--      0.0077                 0.0000                 0.0536
 Beta2  Fr= 1--      0.1580                 0.0012                 0.0795
 AlphaG Fr= 1--     -0.0058                -0.0007                -0.0002
 Gamma2 Fr= 1--      0.2292                -0.1242                 0.1864
 Delta2 Fr= 1--      0.0122                -0.0237                -0.0514
 Raman1 Fr= 1--       5.802                  0.034                 11.870
 ROA1   Fr= 1--      22.394                -12.677                 16.248
 CID1   Fr= 1--       3.860               -368.190                  1.369
 Raman2 Fr= 1--       1.896                  0.014                  0.954
 ROA2   Fr= 1--       5.404                 -2.791                  4.885
 CID2   Fr= 1--       2.849               -195.876                  5.121
 Raman3 Fr= 1--       3.793                  0.028                  1.908
 ROA3   Fr= 1--      22.394                -12.677                 16.248
 CID3   Fr= 1--       5.904               -444.891                  8.518
 RC180  Fr= 1--       0.307                  0.655                 -0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.28  -0.05  -0.11    -0.00   0.00   0.01     0.06  -0.14   0.18
     2   6     0.06  -0.04   0.13     0.01  -0.00  -0.00     0.17  -0.11  -0.08
     3   1     0.27   0.28   0.11    -0.00  -0.02  -0.01     0.07  -0.27   0.14
     4   1     0.12  -0.10   0.17     0.02  -0.00  -0.01     0.24  -0.08  -0.12
     5   6    -0.01  -0.15   0.09     0.00   0.01  -0.01     0.03   0.12  -0.12
     6   6    -0.02   0.08   0.10     0.00  -0.00  -0.00     0.06   0.07  -0.03
     7   1     0.04  -0.17  -0.05     0.00   0.01   0.01    -0.27   0.10   0.22
     8   1     0.01  -0.22   0.01     0.00   0.01  -0.01     0.00   0.38  -0.27
     9   1    -0.08  -0.28   0.22    -0.01   0.02  -0.02     0.04   0.32  -0.30
    10   6    -0.02   0.13  -0.06    -0.02  -0.05   0.21    -0.03   0.10   0.02
    11   6    -0.02   0.05  -0.06     0.02   0.05  -0.20    -0.04   0.03   0.04
    12   6    -0.12  -0.05   0.10    -0.00   0.00  -0.00    -0.11  -0.02  -0.05
    13   6    -0.13  -0.00  -0.06    -0.02  -0.05   0.20    -0.08  -0.05  -0.00
    14   6    -0.11   0.08  -0.09     0.02   0.05  -0.20    -0.06   0.01   0.01
    15   1    -0.00   0.16  -0.16    -0.05  -0.11   0.44    -0.06   0.07   0.04
    16   1     0.06   0.03  -0.13     0.04   0.11  -0.44     0.05  -0.02   0.08
    17   1    -0.13  -0.14   0.22    -0.00   0.00  -0.01    -0.11  -0.04  -0.09
    18   1    -0.15  -0.00  -0.12    -0.04  -0.11   0.44    -0.07  -0.05   0.03
    19   1    -0.19   0.16  -0.21     0.04   0.11  -0.43    -0.17   0.05   0.05
                     10                     11                     12
                      A                      A                      A
 Frequencies --    544.1089               612.4865               638.1807
 Red. masses --      3.1831                 3.5630                 6.3810
 Frc consts  --      0.5552                 0.7875                 1.5312
 IR Inten    --     11.8020                14.4152                 0.1608
 RamAct Fr= 1--      0.7076                 0.8861                 4.1633
  Dep-P Fr= 1--      0.2491                 0.7463                 0.7461
  Dep-U Fr= 1--      0.3989                 0.8547                 0.8546
 Alpha2 Fr= 1--      0.0084                 0.0001                 0.0003
 Beta2  Fr= 1--      0.0470                 0.1262                 0.5930
 AlphaG Fr= 1--     -0.0027                 0.0007                -0.0031
 Gamma2 Fr= 1--      0.0935                 0.1164                -0.0085
 Delta2 Fr= 1--     -0.0559                 0.0475                -0.0356
 Raman1 Fr= 1--       2.830                  3.544                 16.653
 ROA1   Fr= 1--       7.183                 12.695                 -1.953
 CID1   Fr= 1--       2.538                  3.582                 -0.117
 Raman2 Fr= 1--       0.564                  1.515                  7.116
 ROA2   Fr= 1--       2.690                  2.413                  0.082
 CID2   Fr= 1--       4.766                  1.593                  0.012
 Raman3 Fr= 1--       1.129                  3.029                 14.232
 ROA3   Fr= 1--       7.183                 12.695                 -1.953
 CID3   Fr= 1--       6.363                  4.190                 -0.137
 RC180  Fr= 1--      -0.202                  0.709                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08   0.03   0.00    -0.10   0.04  -0.07    -0.00   0.03  -0.01
     2   6     0.05   0.05  -0.04     0.17   0.18   0.16     0.00   0.01   0.02
     3   1    -0.07  -0.15   0.03    -0.07  -0.24   0.03    -0.00   0.04   0.01
     4   1     0.16   0.10  -0.11     0.17   0.10   0.23     0.02   0.01   0.02
     5   6     0.09   0.06  -0.09    -0.01  -0.00   0.02    -0.01  -0.00   0.02
     6   6     0.01  -0.08   0.27     0.17  -0.02  -0.03    -0.01   0.14   0.03
     7   1     0.12   0.08  -0.08    -0.08  -0.10  -0.18    -0.00  -0.01  -0.01
     8   1     0.08   0.07   0.00     0.03  -0.04  -0.35    -0.01  -0.01   0.01
     9   1     0.16   0.09  -0.14    -0.29  -0.26   0.33    -0.02  -0.03   0.04
    10   6    -0.03  -0.02   0.04    -0.01   0.03  -0.03    -0.26   0.19   0.01
    11   6    -0.03   0.03  -0.13    -0.06   0.08   0.05    -0.23  -0.25  -0.07
    12   6    -0.06  -0.04   0.18    -0.17   0.02  -0.06     0.01  -0.14  -0.05
    13   6     0.03   0.00  -0.13     0.02  -0.11   0.01     0.28  -0.22  -0.02
    14   6     0.01  -0.06   0.03     0.04  -0.17  -0.07     0.22   0.22   0.06
    15   1    -0.05   0.01  -0.26    -0.18  -0.11   0.01    -0.13   0.27   0.06
    16   1     0.01   0.11  -0.46     0.00   0.01   0.17    -0.07  -0.33  -0.04
    17   1    -0.07  -0.02   0.21    -0.17   0.05  -0.03    -0.04   0.28   0.06
    18   1     0.10   0.11  -0.46     0.18  -0.02   0.16     0.14  -0.32  -0.02
    19   1     0.03   0.02  -0.25    -0.05  -0.15   0.01     0.06   0.28   0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    714.0894               771.8462               778.9327
 Red. masses --      1.7591                 2.3856                 2.4142
 Frc consts  --      0.5285                 0.8373                 0.8630
 IR Inten    --     43.4969                25.5991                 7.1912
 RamAct Fr= 1--      0.1305                 7.6616                 7.9186
  Dep-P Fr= 1--      0.2362                 0.0430                 0.0673
  Dep-U Fr= 1--      0.3822                 0.0825                 0.1261
 Alpha2 Fr= 1--      0.0016                 0.1539                 0.1501
 Beta2  Fr= 1--      0.0083                 0.1054                 0.1664
 AlphaG Fr= 1--      0.0009                -0.0488                 0.0198
 Gamma2 Fr= 1--     -0.0153                 0.6018                 0.7535
 Delta2 Fr= 1--      0.0081                 0.2979                 0.1051
 Raman1 Fr= 1--       0.522                 30.646                 31.674
 ROA1   Fr= 1--      -1.208                 67.304                 75.702
 CID1   Fr= 1--      -2.314                  2.196                  2.390
 Raman2 Fr= 1--       0.100                  1.264                  1.997
 ROA2   Fr= 1--      -0.432                 12.059                 17.244
 CID2   Fr= 1--      -4.334                  9.537                  8.637
 Raman3 Fr= 1--       0.200                  2.529                  3.993
 ROA3   Fr= 1--      -1.208                 67.304                 75.702
 CID3   Fr= 1--      -6.055                 26.614                 18.959
 RC180  Fr= 1--      -0.236                 -0.835                 -0.748
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00  -0.00     0.00  -0.02   0.00    -0.02   0.04  -0.01
     2   6     0.00  -0.00   0.00     0.06   0.05   0.06    -0.10  -0.08  -0.08
     3   1     0.00   0.00   0.01     0.01  -0.12   0.03    -0.03   0.16  -0.04
     4   1    -0.02  -0.01   0.02     0.15   0.03   0.06    -0.03   0.03  -0.20
     5   6    -0.00  -0.00   0.00     0.05   0.05  -0.07    -0.05  -0.04   0.02
     6   6     0.01   0.03  -0.10    -0.06  -0.05   0.17     0.04  -0.03   0.14
     7   1    -0.02  -0.01   0.00     0.06   0.03  -0.15     0.07   0.05   0.15
     8   1     0.00   0.00  -0.03     0.07   0.02  -0.15    -0.09  -0.04   0.41
     9   1    -0.03  -0.01   0.02    -0.00  -0.03   0.01     0.22   0.14  -0.20
    10   6    -0.01  -0.01   0.07    -0.02  -0.08  -0.10     0.04   0.12  -0.02
    11   6     0.01   0.04  -0.14    -0.04  -0.09  -0.02     0.05   0.12   0.04
    12   6    -0.01  -0.02   0.07     0.09   0.04  -0.11    -0.09   0.01  -0.10
    13   6     0.01   0.03  -0.14    -0.05   0.08   0.03     0.05  -0.09  -0.02
    14   6    -0.01  -0.02   0.07    -0.03   0.07  -0.07     0.05  -0.06  -0.07
    15   1    -0.05  -0.10   0.48     0.01  -0.07   0.01    -0.02   0.08  -0.01
    16   1    -0.01  -0.05   0.19    -0.22  -0.15   0.44     0.17  -0.03   0.35
    17   1    -0.06  -0.14   0.55     0.03  -0.09   0.48    -0.13  -0.12   0.35
    18   1    -0.02  -0.06   0.21    -0.18  -0.10   0.46     0.13  -0.11   0.37
    19   1    -0.05  -0.13   0.50     0.02   0.01   0.06    -0.03  -0.06   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    859.6268               906.9440               927.8562
 Red. masses --      1.2499                 2.3304                 1.4043
 Frc consts  --      0.5442                 1.1294                 0.7123
 IR Inten    --      0.1331                19.8627                 4.2069
 RamAct Fr= 1--      1.3963                 3.6556                 1.2684
  Dep-P Fr= 1--      0.7116                 0.7449                 0.3966
  Dep-U Fr= 1--      0.8315                 0.8538                 0.5680
 Alpha2 Fr= 1--      0.0009                 0.0003                 0.0095
 Beta2  Fr= 1--      0.1935                 0.5202                 0.1201
 AlphaG Fr= 1--      0.0023                -0.0030                -0.0156
 Gamma2 Fr= 1--     -0.2022                -1.2679                -1.1571
 Delta2 Fr= 1--     -0.0650                -1.1253                 0.0645
 Raman1 Fr= 1--       5.585                 14.622                  5.074
 ROA1   Fr= 1--     -21.486               -157.723               -109.013
 CID1   Fr= 1--      -3.847                -10.786                -21.486
 Raman2 Fr= 1--       2.322                  6.242                  1.441
 ROA2   Fr= 1--      -4.332                -21.426                -28.285
 CID2   Fr= 1--      -1.866                 -3.433                -19.630
 Raman3 Fr= 1--       4.644                 12.484                  2.882
 ROA3   Fr= 1--     -21.486               -157.723               -109.013
 CID3   Fr= 1--      -4.626                -12.634                -37.828
 RC180  Fr= 1--       0.663                  0.708                  0.136
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.05   0.14  -0.06     0.01  -0.02   0.01
     2   6     0.00  -0.00   0.00     0.16  -0.05  -0.07    -0.01   0.01  -0.01
     3   1    -0.00  -0.00  -0.00    -0.03  -0.10   0.06     0.01   0.01  -0.01
     4   1     0.00   0.01  -0.00     0.25   0.13  -0.24    -0.09  -0.04   0.05
     5   6     0.00  -0.00  -0.00    -0.01  -0.14   0.13     0.00   0.01   0.01
     6   6     0.00  -0.00   0.00     0.04   0.01   0.00    -0.00   0.01  -0.07
     7   1    -0.01  -0.00   0.01    -0.34  -0.13   0.67    -0.01  -0.02  -0.05
     8   1     0.00   0.00  -0.01    -0.05   0.20   0.03     0.02  -0.01  -0.09
     9   1    -0.00  -0.00  -0.00    -0.01   0.18  -0.16    -0.07  -0.05   0.08
    10   6    -0.01  -0.02   0.06    -0.01  -0.04  -0.00    -0.01  -0.01   0.08
    11   6    -0.01  -0.02   0.08    -0.03  -0.06  -0.02     0.00   0.00   0.03
    12   6     0.00  -0.00   0.01     0.03   0.01  -0.01     0.01   0.02  -0.10
    13   6     0.01   0.02  -0.07    -0.05   0.05   0.00     0.01   0.00  -0.03
    14   6     0.01   0.02  -0.08    -0.02   0.02   0.02    -0.01  -0.03   0.11
    15   1     0.04   0.10  -0.43    -0.01  -0.04  -0.08     0.04   0.11  -0.42
    16   1     0.05   0.12  -0.51    -0.10  -0.03  -0.00     0.03   0.05  -0.19
    17   1     0.01   0.02  -0.07     0.02  -0.03   0.09    -0.06  -0.14   0.58
    18   1    -0.05  -0.12   0.45    -0.11   0.02   0.01    -0.00  -0.04   0.13
    19   1    -0.05  -0.13   0.51    -0.01   0.05  -0.07     0.06   0.14  -0.55
                     19                     20                     21
                      A                      A                      A
 Frequencies --    963.9874               984.8874              1020.1609
 Red. masses --      1.3182                 1.2729                 2.0420
 Frc consts  --      0.7217                 0.7275                 1.2521
 IR Inten    --      0.0681                 0.9658                 6.3733
 RamAct Fr= 1--      0.0385                 0.3023                23.6626
  Dep-P Fr= 1--      0.6544                 0.1705                 0.1324
  Dep-U Fr= 1--      0.7911                 0.2913                 0.2339
 Alpha2 Fr= 1--      0.0001                 0.0044                 0.3823
 Beta2  Fr= 1--      0.0051                 0.0147                 0.9225
 AlphaG Fr= 1--      0.0015                 0.0017                -0.0155
 Gamma2 Fr= 1--      0.1898                 0.2626                 2.8859
 Delta2 Fr= 1--     -0.0548                -0.0896                 2.6941
 Raman1 Fr= 1--       0.154                  1.209                 94.651
 ROA1   Fr= 1--      16.469                 22.340                363.262
 CID1   Fr= 1--     106.890                 18.474                  3.838
 Raman2 Fr= 1--       0.061                  0.176                 11.070
 ROA2   Fr= 1--       4.993                  7.018                 47.709
 CID2   Fr= 1--      81.939                 39.844                  4.310
 Raman3 Fr= 1--       0.122                  0.352                 22.140
 ROA3   Fr= 1--      16.469                 22.340                363.262
 CID3   Fr= 1--     135.119                 63.416                 16.408
 RC180  Fr= 1--       0.582                 -0.417                 -0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.04  -0.08   0.02
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.04   0.14  -0.08
     3   1     0.00  -0.01   0.00     0.00   0.00  -0.01     0.06  -0.30   0.10
     4   1     0.02   0.00  -0.01    -0.03  -0.01   0.01     0.28   0.18  -0.20
     5   6    -0.01  -0.00   0.00     0.00   0.00   0.01    -0.15   0.00   0.04
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.05   0.03  -0.02
     7   1     0.01   0.01  -0.00    -0.01  -0.01  -0.01     0.26   0.12  -0.16
     8   1    -0.01  -0.00   0.03     0.01  -0.00  -0.04    -0.17  -0.22   0.62
     9   1     0.01   0.01  -0.01    -0.03  -0.01   0.03     0.19  -0.05   0.02
    10   6     0.01   0.01  -0.07    -0.01  -0.01   0.09     0.06  -0.10  -0.00
    11   6    -0.00  -0.01   0.03     0.01   0.03  -0.10    -0.03  -0.04  -0.02
    12   6    -0.01  -0.01   0.06     0.00  -0.01   0.06    -0.09   0.01  -0.01
    13   6     0.01   0.03  -0.11     0.00   0.01  -0.03    -0.01   0.02   0.00
    14   6    -0.01  -0.02   0.07    -0.00  -0.00   0.00     0.03   0.06   0.02
    15   1    -0.03  -0.08   0.34     0.04   0.13  -0.57     0.08  -0.08  -0.08
    16   1     0.01   0.03  -0.12    -0.06  -0.15   0.63    -0.08  -0.03  -0.01
    17   1     0.03   0.09  -0.36     0.04   0.09  -0.37    -0.10   0.06   0.03
    18   1    -0.06  -0.16   0.65    -0.02  -0.06   0.21     0.01   0.04  -0.01
    19   1     0.04   0.12  -0.47     0.01   0.02  -0.09    -0.01   0.08   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.6378              1054.6141              1090.9288
 Red. masses --      4.7182                 2.1823                 1.7555
 Frc consts  --      2.9300                 1.4300                 1.2309
 IR Inten    --      1.2324                 5.9732                29.0194
 RamAct Fr= 1--     34.9013                18.9600                 0.4350
  Dep-P Fr= 1--      0.0512                 0.0374                 0.7133
  Dep-U Fr= 1--      0.0974                 0.0722                 0.8326
 Alpha2 Fr= 1--      0.6874                 0.3859                 0.0003
 Beta2  Fr= 1--      0.5668                 0.2281                 0.0604
 AlphaG Fr= 1--      0.0307                 0.0041                -0.0020
 Gamma2 Fr= 1--     -1.6417                -0.3675                -0.5601
 Delta2 Fr= 1--     -0.6813                -0.2854                -0.6156
 Raman1 Fr= 1--     139.605                 75.840                  1.740
 ROA1   Fr= 1--    -179.406                -44.411                -73.467
 CID1   Fr= 1--      -1.285                 -0.586                -42.222
 Raman2 Fr= 1--       6.802                  2.737                  0.724
 ROA2   Fr= 1--     -33.950                 -6.537                 -8.517
 CID2   Fr= 1--      -4.991                 -2.389                -11.757
 Raman3 Fr= 1--      13.603                  5.473                  1.449
 ROA3   Fr= 1--    -179.406                -44.411                -73.467
 CID3   Fr= 1--     -13.188                 -8.114                -50.709
 RC180  Fr= 1--      -0.805                 -0.856                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.05   0.01    -0.01   0.01  -0.00     0.01  -0.05  -0.00
     2   6     0.04   0.09  -0.05    -0.01  -0.03   0.01    -0.05   0.08   0.07
     3   1     0.05  -0.21   0.07    -0.01   0.05  -0.02    -0.01   0.23  -0.07
     4   1     0.15   0.14  -0.13    -0.07  -0.06   0.05     0.10   0.14  -0.02
     5   6    -0.09   0.00   0.03     0.01   0.01  -0.01     0.04  -0.07  -0.04
     6   6     0.04   0.02  -0.01     0.02  -0.00   0.00    -0.04   0.06  -0.01
     7   1     0.16   0.08  -0.09     0.01   0.00  -0.05    -0.10  -0.02   0.27
     8   1    -0.10  -0.14   0.38     0.01  -0.01  -0.03     0.00   0.19  -0.04
     9   1     0.11  -0.04   0.02    -0.01  -0.01   0.01     0.07   0.18  -0.27
    10   6    -0.18   0.24   0.04     0.03   0.08   0.02     0.09  -0.03   0.01
    11   6    -0.03  -0.06  -0.01    -0.00  -0.18  -0.04    -0.04  -0.05  -0.02
    12   6     0.31   0.04   0.04    -0.13  -0.02  -0.02    -0.02   0.07   0.02
    13   6    -0.03   0.04   0.01    -0.05   0.18   0.04     0.07  -0.05  -0.00
    14   6    -0.13  -0.29  -0.09     0.06  -0.06  -0.01    -0.08  -0.07  -0.02
    15   1    -0.17   0.26   0.07     0.31   0.27   0.09     0.38   0.17   0.04
    16   1    -0.04  -0.04  -0.05     0.35  -0.35  -0.04    -0.18   0.01  -0.01
    17   1     0.32   0.06   0.07    -0.14  -0.04  -0.03    -0.06   0.46   0.11
    18   1    -0.01   0.05  -0.01     0.24   0.40   0.13     0.28   0.09   0.05
    19   1    -0.11  -0.31  -0.07     0.39  -0.20  -0.02    -0.31   0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1096.4884              1131.5845              1184.3171
 Red. masses --      2.4706                 1.9450                 1.1219
 Frc consts  --      1.7501                 1.4673                 0.9271
 IR Inten    --     22.9952                31.1954                 0.5690
 RamAct Fr= 1--     13.2199                 0.6440                 3.4709
  Dep-P Fr= 1--      0.2052                 0.7447                 0.7286
  Dep-U Fr= 1--      0.3406                 0.8537                 0.8430
 Alpha2 Fr= 1--      0.1770                 0.0001                 0.0013
 Beta2  Fr= 1--      0.7504                 0.0916                 0.4877
 AlphaG Fr= 1--      0.0979                -0.0025                -0.0002
 Gamma2 Fr= 1--     -0.2943                -0.7517                -0.0070
 Delta2 Fr= 1--     -0.3747                -0.2297                 0.1268
 Raman1 Fr= 1--      52.879                  2.576                 13.884
 ROA1   Fr= 1--     -40.247                -79.512                  3.384
 CID1   Fr= 1--      -0.761                -30.866                  0.244
 Raman2 Fr= 1--       9.005                  1.100                  5.852
 ROA2   Fr= 1--      -4.067                -16.203                 -1.183
 CID2   Fr= 1--      -0.452                -14.736                 -0.202
 Raman3 Fr= 1--      18.010                  2.199                 11.704
 ROA3   Fr= 1--     -40.247                -79.512                  3.384
 CID3   Fr= 1--      -2.235                -36.156                  0.289
 RC180  Fr= 1--      -0.319                  0.707                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03   0.07  -0.03     0.03  -0.10  -0.00    -0.00  -0.00   0.00
     2   6     0.02  -0.11   0.25    -0.06   0.19   0.05    -0.00  -0.01  -0.01
     3   1    -0.04   0.11  -0.03     0.01   0.15  -0.06    -0.01   0.07  -0.02
     4   1     0.24  -0.04   0.15     0.02   0.31  -0.10     0.02  -0.02   0.00
     5   6    -0.06  -0.02  -0.16     0.04  -0.08  -0.02     0.00   0.01   0.00
     6   6     0.07   0.02  -0.08    -0.04  -0.01  -0.01     0.02   0.01   0.00
     7   1     0.26   0.16  -0.05    -0.13  -0.04   0.34    -0.00  -0.00  -0.02
     8   1    -0.10  -0.02   0.41    -0.00   0.23  -0.04     0.00  -0.01  -0.01
     9   1     0.42   0.18  -0.45     0.02   0.19  -0.25    -0.01  -0.01   0.02
    10   6    -0.02  -0.01   0.02    -0.08   0.00  -0.01    -0.00  -0.01  -0.00
    11   6    -0.01  -0.01  -0.00     0.04   0.04   0.01     0.04  -0.03  -0.00
    12   6     0.02  -0.01  -0.00    -0.01  -0.05  -0.01    -0.01   0.07   0.02
    13   6    -0.04   0.02   0.00    -0.02   0.02   0.00    -0.04  -0.02  -0.01
    14   6     0.01   0.01   0.03     0.07   0.01   0.01     0.01  -0.01  -0.00
    15   1    -0.16  -0.09  -0.16    -0.31  -0.15  -0.06    -0.16  -0.12  -0.04
    16   1    -0.02   0.00  -0.00     0.24  -0.05   0.01     0.43  -0.20  -0.01
    17   1     0.03  -0.10  -0.01     0.03  -0.34  -0.08    -0.07   0.66   0.15
    18   1    -0.11  -0.03  -0.03    -0.09  -0.02  -0.01    -0.39  -0.26  -0.10
    19   1     0.03   0.04  -0.08     0.41  -0.13  -0.01     0.13  -0.06  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1196.1230              1206.7034              1249.7169
 Red. masses --      1.5091                 1.3240                 1.4066
 Frc consts  --      1.2721                 1.1359                 1.2943
 IR Inten    --     43.2589                17.9918                 6.8103
 RamAct Fr= 1--     11.1658                 5.1875                14.3387
  Dep-P Fr= 1--      0.1132                 0.5254                 0.1154
  Dep-U Fr= 1--      0.2034                 0.6889                 0.2069
 Alpha2 Fr= 1--      0.1892                 0.0226                 0.2417
 Beta2  Fr= 1--      0.3786                 0.5956                 0.4944
 AlphaG Fr= 1--      0.0425                 0.0061                -0.1745
 Gamma2 Fr= 1--      0.8840                -0.2410                -1.2327
 Delta2 Fr= 1--      0.2116                -0.2333                 0.0215
 Raman1 Fr= 1--      44.663                 20.750                 57.355
 ROA1   Fr= 1--      91.639                -30.597               -117.652
 CID1   Fr= 1--       2.052                 -1.475                 -2.051
 Raman2 Fr= 1--       4.543                  7.147                  5.932
 ROA2   Fr= 1--      19.524                 -3.917                -29.757
 CID2   Fr= 1--       4.297                 -0.548                 -5.016
 Raman3 Fr= 1--       9.087                 14.294                 11.865
 ROA3   Fr= 1--      91.639                -30.597               -117.652
 CID3   Fr= 1--      10.085                 -2.140                 -9.916
 RC180  Fr= 1--      -0.593                  0.378                 -0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03  -0.04   0.02     0.02   0.03  -0.01    -0.02   0.01   0.02
     2   6    -0.05  -0.00  -0.04     0.03  -0.00   0.02     0.05  -0.03  -0.02
     3   1    -0.07   0.56  -0.19     0.05  -0.37   0.12    -0.05   0.42  -0.12
     4   1     0.06  -0.04  -0.04    -0.06   0.04   0.01     0.75  -0.18  -0.06
     5   6     0.01   0.01   0.02    -0.00  -0.01  -0.01    -0.01   0.03   0.03
     6   6     0.17   0.03   0.03    -0.10  -0.02  -0.02    -0.12   0.07  -0.01
     7   1    -0.03  -0.02  -0.02     0.01   0.01   0.01     0.03   0.01  -0.10
     8   1     0.02  -0.01  -0.05    -0.01  -0.00   0.02     0.01  -0.06  -0.02
     9   1    -0.07  -0.04   0.09     0.03   0.01  -0.04    -0.01  -0.07   0.12
    10   6    -0.01  -0.02  -0.01    -0.05  -0.02  -0.01    -0.04  -0.04  -0.01
    11   6    -0.02  -0.06  -0.02     0.07   0.00   0.01     0.05   0.01   0.01
    12   6     0.02  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.02   0.00
    13   6    -0.02   0.05   0.01     0.06   0.01   0.01     0.01  -0.04  -0.01
    14   6    -0.01   0.01   0.00    -0.06   0.02   0.00    -0.00  -0.03  -0.01
    15   1    -0.40  -0.31  -0.10    -0.26  -0.17  -0.07    -0.02  -0.02  -0.02
    16   1     0.05  -0.09  -0.02     0.52  -0.20   0.00     0.04   0.02   0.01
    17   1     0.03  -0.07  -0.01    -0.01   0.04   0.01     0.01  -0.07  -0.01
    18   1     0.16   0.18   0.06     0.43   0.25   0.11     0.20   0.08   0.04
    19   1    -0.44   0.21   0.02    -0.34   0.14   0.00     0.24  -0.15  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1343.1258              1357.5819              1360.9025
 Red. masses --      3.6152                 1.3240                 1.3670
 Frc consts  --      3.8425                 1.4377                 1.4917
 IR Inten    --      2.7694                10.5122                 9.9445
 RamAct Fr= 1--      1.4475                 9.0767                 2.7088
  Dep-P Fr= 1--      0.3463                 0.3687                 0.2129
  Dep-U Fr= 1--      0.5145                 0.5387                 0.3511
 Alpha2 Fr= 1--      0.0129                 0.0749                 0.0355
 Beta2  Fr= 1--      0.1241                 0.8150                 0.1585
 AlphaG Fr= 1--      0.0296                -0.0191                -0.0020
 Gamma2 Fr= 1--     -0.7132                -2.3149                 1.0155
 Delta2 Fr= 1--     -0.5535                 0.2554                -0.3846
 Raman1 Fr= 1--       5.790                 36.307                 10.835
 ROA1   Fr= 1--     -86.176               -214.060                 85.176
 CID1   Fr= 1--     -14.883                 -5.896                  7.861
 Raman2 Fr= 1--       1.489                  9.780                  1.902
 ROA2   Fr= 1--     -12.689                -57.601                 27.448
 CID2   Fr= 1--      -8.520                 -5.890                 14.431
 Raman3 Fr= 1--       2.979                 19.560                  3.804
 ROA3   Fr= 1--     -86.176               -214.060                 85.176
 CID3   Fr= 1--     -28.930                -10.944                 22.391
 RC180  Fr= 1--       0.029                  0.077                 -0.298
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03   0.03  -0.00     0.00  -0.01  -0.02     0.02   0.01  -0.01
     2   6    -0.05   0.00  -0.03    -0.04  -0.08   0.07    -0.04  -0.04   0.02
     3   1     0.05  -0.36   0.11     0.01  -0.07   0.02     0.03  -0.20   0.06
     4   1    -0.39  -0.31   0.33     0.08   0.65  -0.63    -0.06   0.17  -0.17
     5   6     0.01  -0.02  -0.02     0.02   0.06   0.03     0.02   0.01   0.01
     6   6     0.02   0.24   0.07     0.01   0.02  -0.01     0.01   0.08   0.02
     7   1    -0.06  -0.03   0.06    -0.04  -0.02  -0.13    -0.04  -0.02  -0.04
     8   1    -0.01   0.01   0.04     0.06  -0.09  -0.14     0.02  -0.02  -0.04
     9   1     0.00   0.05  -0.09    -0.04  -0.04   0.12    -0.04   0.01   0.02
    10   6    -0.12  -0.09  -0.03    -0.04  -0.02  -0.01     0.09   0.04   0.02
    11   6     0.16  -0.10  -0.01     0.03  -0.01   0.00    -0.00  -0.02  -0.01
    12   6    -0.02   0.17   0.04    -0.01   0.05   0.01     0.01  -0.07  -0.02
    13   6    -0.16  -0.10  -0.04    -0.03  -0.01  -0.00    -0.00  -0.01  -0.00
    14   6     0.17  -0.08  -0.01     0.05  -0.02   0.00    -0.08   0.01  -0.00
    15   1    -0.08  -0.06  -0.02     0.13   0.10   0.03    -0.43  -0.33  -0.11
    16   1    -0.35   0.12  -0.01     0.02  -0.01  -0.00    -0.33   0.12  -0.01
    17   1     0.02  -0.16  -0.04     0.01  -0.09  -0.02    -0.03   0.29   0.07
    18   1     0.21   0.15   0.07    -0.05  -0.02  -0.01     0.24   0.15   0.06
    19   1    -0.04   0.02   0.01    -0.14   0.08  -0.01     0.45  -0.22  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1403.8523              1418.7476              1487.4354
 Red. masses --      1.2685                 1.4787                 1.3616
 Frc consts  --      1.4729                 1.7536                 1.7749
 IR Inten    --     12.5040                11.8986                15.9115
 RamAct Fr= 1--      2.0991                 4.0712                 1.4796
  Dep-P Fr= 1--      0.3965                 0.1989                 0.7497
  Dep-U Fr= 1--      0.5679                 0.3319                 0.8570
 Alpha2 Fr= 1--      0.0157                 0.0554                 0.0000
 Beta2  Fr= 1--      0.1987                 0.2252                 0.2113
 AlphaG Fr= 1--      0.0045                 0.0287                -0.0001
 Gamma2 Fr= 1--     -0.1732                 0.7627                 1.3276
 Delta2 Fr= 1--     -0.0329                 0.5858                -0.8448
 Raman1 Fr= 1--       8.397                 16.285                  5.918
 ROA1   Fr= 1--     -17.683                 91.962                100.413
 CID1   Fr= 1--      -2.106                  5.647                 16.966
 Raman2 Fr= 1--       2.384                  2.702                  2.536
 ROA2   Fr= 1--      -3.894                 13.618                 38.620
 CID2   Fr= 1--      -1.633                  5.040                 15.229
 Raman3 Fr= 1--       4.768                  5.404                  5.072
 ROA3   Fr= 1--     -17.683                 91.962                100.413
 CID3   Fr= 1--      -3.708                 17.017                 19.798
 RC180  Fr= 1--       0.136                 -0.336                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.01  -0.00     0.03   0.04  -0.00     0.01   0.00  -0.00
     2   6    -0.05  -0.00   0.01    -0.17   0.01  -0.00    -0.01   0.00  -0.00
     3   1     0.02  -0.10   0.03     0.06  -0.43   0.15     0.01  -0.05   0.01
     4   1     0.17  -0.05  -0.00     0.59  -0.26   0.05    -0.08  -0.02   0.04
     5   6     0.07   0.04  -0.12     0.05  -0.02   0.04    -0.02   0.04   0.01
     6   6     0.01  -0.00  -0.01     0.05  -0.00  -0.01    -0.01   0.08   0.02
     7   1    -0.35   0.02   0.46    -0.09  -0.16  -0.26    -0.25  -0.02   0.20
     8   1     0.01  -0.15   0.50     0.03   0.08  -0.10     0.08  -0.49  -0.28
     9   1    -0.30  -0.35   0.34    -0.18   0.27  -0.18     0.52  -0.08  -0.03
    10   6     0.00  -0.00   0.00     0.02   0.01   0.01     0.06  -0.02   0.00
    11   6    -0.01   0.00   0.00    -0.04  -0.00  -0.00    -0.07  -0.02  -0.01
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.06   0.01
    13   6     0.01   0.01   0.00     0.02   0.03   0.01     0.08   0.01   0.01
    14   6    -0.00  -0.00   0.00     0.01  -0.02  -0.00    -0.04  -0.04  -0.01
    15   1     0.02   0.01  -0.01    -0.02  -0.03  -0.02    -0.08  -0.12  -0.03
    16   1     0.02  -0.01  -0.00     0.05  -0.05  -0.01     0.15  -0.12  -0.02
    17   1     0.00  -0.02  -0.01     0.01  -0.10  -0.02     0.03  -0.33  -0.08
    18   1    -0.03  -0.02  -0.01    -0.15  -0.08  -0.04    -0.17  -0.17  -0.06
    19   1    -0.01   0.01  -0.01    -0.12   0.04  -0.01     0.04  -0.08  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.9070              1497.1900              1536.1089
 Red. masses --      1.2745                 1.2342                 2.2488
 Frc consts  --      1.6691                 1.6300                 3.1264
 IR Inten    --      1.8942                 1.6597                 9.5742
 RamAct Fr= 1--      5.3201                 2.7750                 0.4849
  Dep-P Fr= 1--      0.6025                 0.4570                 0.5147
  Dep-U Fr= 1--      0.7520                 0.6274                 0.6796
 Alpha2 Fr= 1--      0.0145                 0.0165                 0.0022
 Beta2  Fr= 1--      0.6668                 0.2901                 0.0549
 AlphaG Fr= 1--      0.0525                -0.0126                 0.0046
 Gamma2 Fr= 1--      2.7416                -2.5757                -0.1283
 Delta2 Fr= 1--     -0.4373                 0.2715                 0.0224
 Raman1 Fr= 1--      21.280                 11.100                  1.939
 ROA1   Fr= 1--     249.196               -238.584                -11.602
 CID1   Fr= 1--      11.710                -21.494                 -5.982
 Raman2 Fr= 1--       8.001                  3.482                  0.659
 ROA2   Fr= 1--      69.296                -63.990                 -3.259
 CID2   Fr= 1--       8.661                -18.379                 -4.946
 Raman3 Fr= 1--      16.002                  6.964                  1.318
 ROA3   Fr= 1--     249.196               -238.584                -11.602
 CID3   Fr= 1--      15.573                -34.262                 -8.802
 RC180  Fr= 1--       0.504                  0.255                  0.359
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.01  -0.00     0.01   0.01   0.00     0.00   0.01  -0.00
     2   6    -0.01  -0.04  -0.01    -0.07   0.02  -0.00    -0.05  -0.00  -0.00
     3   1     0.01  -0.06   0.02     0.02  -0.13   0.04     0.01  -0.07   0.02
     4   1    -0.04   0.03  -0.06     0.25  -0.09   0.00     0.01  -0.03   0.00
     5   6    -0.01  -0.04  -0.02    -0.04   0.00  -0.01    -0.01  -0.00   0.00
     6   6    -0.01   0.07   0.02     0.01  -0.05  -0.02     0.14   0.02   0.02
     7   1     0.50   0.25   0.11     0.24   0.24   0.40     0.05   0.05   0.08
     8   1    -0.08   0.58  -0.02     0.01   0.06  -0.42     0.00   0.02  -0.12
     9   1    -0.20  -0.21   0.20     0.43  -0.33   0.19     0.10  -0.06   0.03
    10   6     0.05  -0.01   0.00    -0.02   0.03   0.01    -0.05  -0.10  -0.03
    11   6    -0.05  -0.02  -0.01     0.05  -0.00   0.00    -0.13   0.09   0.01
    12   6    -0.01   0.06   0.01    -0.00  -0.05  -0.01     0.11   0.01   0.01
    13   6     0.06   0.00   0.01    -0.04   0.02   0.00    -0.10  -0.11  -0.04
    14   6    -0.03  -0.03  -0.01     0.05   0.01   0.01    -0.07   0.09   0.01
    15   1    -0.06  -0.10  -0.03    -0.02   0.04   0.01     0.37   0.18   0.07
    16   1     0.11  -0.10  -0.01    -0.15   0.09   0.01     0.46  -0.16   0.01
    17   1     0.03  -0.28  -0.06    -0.03   0.21   0.05     0.13  -0.00   0.01
    18   1    -0.13  -0.14  -0.05     0.03   0.07   0.02     0.40   0.22   0.10
    19   1     0.03  -0.07  -0.01    -0.12   0.08   0.01     0.42  -0.12   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1631.1214              1652.1882              2977.4202
 Red. masses --      5.6125                 5.5688                 1.0833
 Frc consts  --      8.7979                 8.9563                 5.6584
 IR Inten    --      0.5345                 3.6393                39.9009
 RamAct Fr= 1--      7.9750                37.7331               105.4910
  Dep-P Fr= 1--      0.7177                 0.6239                 0.2097
  Dep-U Fr= 1--      0.8356                 0.7684                 0.3467
 Alpha2 Fr= 1--      0.0044                 0.0868                 1.3961
 Beta2  Fr= 1--      1.1107                 4.8323                 6.0953
 AlphaG Fr= 1--      0.0288                 0.0382                 1.6214
 Gamma2 Fr= 1--     -0.7689                 0.7032                 8.6242
 Delta2 Fr= 1--      0.0719                -0.1863                 4.1797
 Raman1 Fr= 1--      31.900                150.932                421.964
 ROA1   Fr= 1--     -71.513                 61.542                961.673
 CID1   Fr= 1--      -2.242                  0.408                  2.279
 Raman2 Fr= 1--      13.329                 57.987                 73.144
 ROA2   Fr= 1--     -19.028                 18.367                173.543
 CID2   Fr= 1--      -1.428                  0.317                  2.373
 Raman3 Fr= 1--      26.657                115.975                146.288
 ROA3   Fr= 1--     -71.513                 61.542                961.673
 CID3   Fr= 1--      -2.683                  0.531                  6.574
 RC180  Fr= 1--       0.671                  0.537                 -0.307
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6    -0.01   0.04   0.01     0.04   0.00   0.01    -0.02  -0.05  -0.06
     3   1    -0.01   0.03  -0.01    -0.00   0.04  -0.01     0.00  -0.00   0.00
     4   1     0.20  -0.03   0.00     0.00   0.03  -0.02     0.18   0.66   0.72
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     6   6     0.02  -0.30  -0.07    -0.23  -0.01  -0.02     0.00  -0.00  -0.00
     7   1    -0.01  -0.00   0.02    -0.02  -0.01  -0.01     0.02  -0.03   0.01
     8   1     0.00  -0.01  -0.02    -0.00  -0.01   0.05    -0.07  -0.01  -0.01
     9   1     0.01   0.00  -0.00    -0.03   0.00   0.00    -0.01  -0.04  -0.04
    10   6     0.09   0.20   0.06     0.28   0.10   0.05     0.00   0.00  -0.00
    11   6     0.08  -0.19  -0.04    -0.27   0.05  -0.01     0.00  -0.00  -0.00
    12   6    -0.03   0.35   0.08     0.14  -0.01   0.01     0.00   0.00   0.00
    13   6    -0.06  -0.21  -0.06    -0.26  -0.08  -0.05    -0.00  -0.00   0.00
    14   6    -0.11   0.17   0.03     0.31  -0.07   0.01     0.00   0.00   0.00
    15   1    -0.30  -0.06  -0.04    -0.27  -0.29  -0.09    -0.00   0.00   0.00
    16   1    -0.23  -0.07  -0.04     0.26  -0.19  -0.02     0.00   0.00   0.00
    17   1     0.06  -0.47  -0.11     0.14   0.04   0.03     0.00   0.00  -0.00
    18   1     0.26  -0.01   0.02     0.19   0.24   0.08    -0.00   0.00  -0.00
    19   1     0.29   0.01   0.03    -0.36   0.23   0.03    -0.01  -0.01  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3022.6500              3088.7265              3111.4041
 Red. masses --      1.0384                 1.0970                 1.1026
 Frc consts  --      5.5896                 6.1663                 6.2887
 IR Inten    --     34.0758                32.9505                16.6192
 RamAct Fr= 1--    241.6814                77.2324                33.4342
  Dep-P Fr= 1--      0.0633                 0.7500                 0.7076
  Dep-U Fr= 1--      0.1190                 0.8571                 0.8288
 Alpha2 Fr= 1--      4.6249                 0.0000                 0.0246
 Beta2  Fr= 1--      4.7946                11.0329                 4.6183
 AlphaG Fr= 1--     -0.2522                 0.0005                -0.0520
 Gamma2 Fr= 1--     -0.1006                -2.2346                -1.4783
 Delta2 Fr= 1--     -0.1867                 0.2516                -1.9973
 Raman1 Fr= 1--     966.725                308.930                133.737
 ROA1   Fr= 1--     -15.637               -206.472               -205.830
 CID1   Fr= 1--      -0.016                 -0.668                 -1.539
 Raman2 Fr= 1--      57.536                132.395                 55.420
 ROA2   Fr= 1--      -0.922                -55.643                -19.501
 CID2   Fr= 1--      -0.016                 -0.420                 -0.352
 Raman3 Fr= 1--     115.071                264.790                110.840
 ROA3   Fr= 1--     -15.637               -206.472               -205.830
 CID3   Fr= 1--      -0.136                 -0.780                 -1.857
 RC180  Fr= 1--      -0.762                  0.714                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
     3   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   1     0.01   0.02   0.03     0.01   0.03   0.04     0.01   0.05   0.06
     5   6    -0.04  -0.01   0.03    -0.08   0.01  -0.05     0.01  -0.09  -0.03
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.18   0.37  -0.11     0.22  -0.51   0.14    -0.29   0.61  -0.19
     8   1     0.76   0.09   0.09     0.61   0.08   0.06     0.04  -0.01  -0.00
     9   1    -0.09  -0.32  -0.34     0.08   0.36   0.38     0.13   0.46   0.51
    10   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3155.9405              3168.7983              3179.3961
 Red. masses --      1.0869                 1.0866                 1.0913
 Frc consts  --      6.3782                 6.4283                 6.4994
 IR Inten    --      8.9638                 0.6342                22.8144
 RamAct Fr= 1--     52.7166                97.8989                77.6472
  Dep-P Fr= 1--      0.4468                 0.5922                 0.7292
  Dep-U Fr= 1--      0.6176                 0.7438                 0.8434
 Alpha2 Fr= 1--      0.3274                 0.2876                 0.0276
 Beta2  Fr= 1--      5.4263                12.1369                10.9149
 AlphaG Fr= 1--     -0.1793                -0.0471                -0.0355
 Gamma2 Fr= 1--     -0.8662                 0.9461                -0.8568
 Delta2 Fr= 1--      0.6327                 0.4731                 0.4781
 Raman1 Fr= 1--     210.866                391.595                310.589
 ROA1   Fr= 1--     -62.913                105.965                -66.956
 CID1   Fr= 1--      -0.298                  0.271                 -0.216
 Raman2 Fr= 1--      65.116                145.643                130.979
 ROA2   Fr= 1--     -25.851                 18.921                -24.388
 CID2   Fr= 1--      -0.397                  0.130                 -0.186
 Raman3 Fr= 1--     130.232                291.286                261.958
 ROA3   Fr= 1--     -62.913                105.965                -66.956
 CID3   Fr= 1--      -0.483                  0.364                 -0.256
 RC180  Fr= 1--       0.235                  0.488                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   1     0.01   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   1     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    11   6    -0.00  -0.01  -0.00     0.02   0.05   0.01    -0.02  -0.05  -0.01
    12   6     0.01   0.00   0.00    -0.05  -0.01  -0.01    -0.02   0.00  -0.00
    13   6    -0.02   0.03   0.01     0.01  -0.02  -0.00     0.04  -0.05  -0.01
    14   6    -0.03  -0.07  -0.02    -0.01  -0.02  -0.01    -0.01  -0.02  -0.01
    15   1     0.01  -0.02  -0.00    -0.09   0.12   0.02     0.09  -0.13  -0.02
    16   1     0.04   0.09   0.02    -0.27  -0.59  -0.17     0.24   0.53   0.15
    17   1    -0.15  -0.01  -0.02     0.61   0.05   0.07     0.28   0.02   0.03
    18   1     0.22  -0.31  -0.06    -0.15   0.20   0.04    -0.40   0.54   0.10
    19   1     0.35   0.79   0.24     0.11   0.25   0.08     0.11   0.23   0.07
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3192.2772              3207.3527              3808.5397
 Red. masses --      1.0959                 1.0925                 1.0662
 Frc consts  --      6.5802                 6.6217                 9.1121
 IR Inten    --     19.4512                 4.1515                22.9054
 RamAct Fr= 1--    218.7554               133.2152               145.8389
  Dep-P Fr= 1--      0.1075                 0.1286                 0.2228
  Dep-U Fr= 1--      0.1942                 0.2279                 0.3644
 Alpha2 Fr= 1--      3.7598                 2.1733                 1.8632
 Beta2  Fr= 1--      7.0805                 5.0597                 8.8563
 AlphaG Fr= 1--     -0.2873                 0.2391                 0.2408
 Gamma2 Fr= 1--     -0.7502                 1.1514                 2.2912
 Delta2 Fr= 1--     -3.1230                 1.4539                -0.7699
 Raman1 Fr= 1--     875.021                532.861                583.355
 ROA1   Fr= 1--    -171.960                157.058                195.317
 CID1   Fr= 1--      -0.197                  0.295                  0.335
 Raman2 Fr= 1--      84.966                 60.716                106.276
 ROA2   Fr= 1--       6.979                 16.003                 61.147
 CID2   Fr= 1--       0.082                  0.264                  0.575
 Raman3 Fr= 1--     169.933                121.433                212.551
 ROA3   Fr= 1--    -171.960                157.058                195.317
 CID3   Fr= 1--      -1.012                  1.293                  0.919
 RC180  Fr= 1--      -0.612                 -0.544                 -0.271
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.06  -0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.99   0.06  -0.06
     4   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.01   0.01   0.00     0.05  -0.07  -0.01     0.00   0.00   0.00
    11   6    -0.01  -0.03  -0.01    -0.01  -0.02  -0.01     0.00  -0.00  -0.00
    12   6    -0.06  -0.01  -0.01    -0.01   0.00  -0.00     0.00   0.00   0.00
    13   6    -0.03   0.04   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   6     0.01   0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1     0.13  -0.17  -0.03    -0.56   0.76   0.12     0.00   0.00   0.00
    16   1     0.12   0.28   0.08     0.11   0.25   0.07     0.00   0.00   0.00
    17   1     0.70   0.06   0.08     0.11   0.01   0.01     0.00   0.00   0.00
    18   1     0.33  -0.45  -0.08     0.03  -0.05  -0.01     0.00  -0.00   0.00
    19   1    -0.07  -0.14  -0.04    -0.00  -0.01  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   519.290171584.083771862.35835
           X            0.99982   0.01579  -0.01030
           Y           -0.01559   0.99970   0.01900
           Z            0.01059  -0.01883   0.99977
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16679     0.05468     0.04651
 Rotational constants (GHZ):           3.47540     1.13930     0.96906
 Zero-point vibrational energy     421954.3 (Joules/Mol)
                                  100.84950 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     48.29   189.40   313.64   371.47   391.60
          (Kelvin)            442.97   541.06   595.40   693.57   782.85
                              881.23   918.20  1027.42  1110.51  1120.71
                             1236.81  1304.89  1334.98  1386.96  1417.03
                             1467.78  1477.10  1517.35  1569.60  1577.60
                             1628.10  1703.97  1720.95  1736.18  1798.06
                             1932.46  1953.26  1958.04  2019.83  2041.26
                             2140.09  2145.08  2154.12  2210.12  2346.82
                             2377.13  4283.84  4348.92  4443.99  4476.62
                             4540.69  4559.19  4574.44  4592.97  4614.67
                             5479.64
 
 Zero-point correction=                           0.160714 (Hartree/Particle)
 Thermal correction to Energy=                    0.169146
 Thermal correction to Enthalpy=                  0.170090
 Thermal correction to Gibbs Free Energy=         0.127121
 Sum of electronic and zero-point Energies=           -386.115587
 Sum of electronic and thermal Energies=              -386.107154
 Sum of electronic and thermal Enthalpies=            -386.106210
 Sum of electronic and thermal Free Energies=         -386.149180
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.141             32.296             90.437
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.817
 Vibrational            104.363             26.335             21.307
 Vibration     1          0.594              1.983              5.607
 Vibration     2          0.612              1.922              2.922
 Vibration     3          0.646              1.814              1.976
 Vibration     4          0.667              1.749              1.674
 Vibration     5          0.675              1.725              1.582
 Vibration     6          0.698              1.659              1.374
 Vibration     7          0.747              1.521              1.055
 Vibration     8          0.777              1.440              0.913
 Vibration     9          0.838              1.290              0.705
 Vibration    10          0.899              1.153              0.557
 Vibration    11          0.972              1.005              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.337686D-58        -58.471486       -134.635573
 Total V=0       0.282951D+16         15.451712         35.578881
 Vib (Bot)       0.143767D-71        -71.842342       -165.423106
 Vib (Bot)    1  0.616772D+01          0.790125          1.819330
 Vib (Bot)    2  0.154805D+01          0.189785          0.436997
 Vib (Bot)    3  0.908166D+00         -0.041835         -0.096328
 Vib (Bot)    4  0.752963D+00         -0.123226         -0.283739
 Vib (Bot)    5  0.709277D+00         -0.149184         -0.343509
 Vib (Bot)    6  0.614928D+00         -0.211176         -0.486251
 Vib (Bot)    7  0.482117D+00         -0.316848         -0.729569
 Vib (Bot)    8  0.426305D+00         -0.370279         -0.852599
 Vib (Bot)    9  0.346331D+00         -0.460509         -1.060361
 Vib (Bot)   10  0.290049D+00         -0.537528         -1.237705
 Vib (Bot)   11  0.240656D+00         -0.618603         -1.424385
 Vib (V=0)       0.120464D+03          2.080856          4.791348
 Vib (V=0)    1  0.668796D+01          0.825294          1.900309
 Vib (V=0)    2  0.212679D+01          0.327726          0.754616
 Vib (V=0)    3  0.153671D+01          0.186592          0.429643
 Vib (V=0)    4  0.140385D+01          0.147322          0.339222
 Vib (V=0)    5  0.136780D+01          0.136022          0.313202
 Vib (V=0)    6  0.129255D+01          0.111447          0.256617
 Vib (V=0)    7  0.119458D+01          0.077214          0.177792
 Vib (V=0)    8  0.115707D+01          0.063358          0.145888
 Vib (V=0)    9  0.110823D+01          0.044630          0.102765
 Vib (V=0)   10  0.107804D+01          0.032634          0.075143
 Vib (V=0)   11  0.105490D+01          0.023212          0.053447
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.443069D+06          5.646471         13.001481
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                 33333 33 32                                           11 1111111111111111111                                  
     8                 21111 10 09                                           66 54444433322111000009999 8 77 7 66 5 4  43 3222  1    
     0                 09765 18 27                                           53 39981065450983995228620 6 77 1 31 4 8  17 0751  3  3 
     9                 72996 19 37                                           21 67179418307642615705487 0 92 4 82 4 2  46 8288  2  4 
 
     X                 XXXXX XX XX                                           XX XXXXXXXXXXXXXXXXXXXXXXX X XX X XX X X  XX XXXX  X  X 
     X                  XX X XX XX                                              X  XXXXX  XX XXX      X    X X  X X        XX        
     X                  XX   XX XX                                                 X X    XX XXX      X    X X  X           X        
     X                  XX    X XX                                                        XX XXX      X    X X              X        
     X                   X    X XX                                                         X XXX           X X              X        
                              X XX                                                         X X X             X              X        
                              X XX                                                         X                 X              X        
                                 X                                                         X                 X              X        
                                                                                           X                 X              X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000017301   -0.000028225    0.000027327
      2        6          -0.000018651    0.000037003   -0.000022551
      3        1           0.000002026    0.000001570   -0.000011470
      4        1           0.000007142   -0.000007901    0.000011853
      5        6           0.000005849   -0.000005041    0.000004743
      6        6          -0.000015324    0.000016269   -0.000017094
      7        1          -0.000002483   -0.000006064    0.000003851
      8        1          -0.000011246   -0.000001754   -0.000000115
      9        1          -0.000000772    0.000001346    0.000002973
     10        6          -0.000019798   -0.000005855   -0.000006210
     11        6           0.000016556    0.000003706    0.000006219
     12        6           0.000013588    0.000016215    0.000005275
     13        6          -0.000005253   -0.000022204   -0.000003052
     14        6           0.000008027   -0.000005190    0.000002995
     15        1           0.000000034    0.000008820    0.000000151
     16        1          -0.000001129    0.000005478    0.000000307
     17        1           0.000004347   -0.000001090   -0.000000698
     18        1           0.000003096   -0.000001731   -0.000000606
     19        1          -0.000003308   -0.000005352   -0.000003901
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037003 RMS     0.000011568
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131739D+03  0.110988D+01  0.134212D+01
      2   0.110988D+01  0.106455D+03  0.638054D+01
      3   0.134212D+01  0.638054D+01  0.741862D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.125874D+01  0.344957D+01  0.694192D+01
      2   0.677378D+01  0.138597D+02 -0.191044D+01
      3  -0.666470D+01 -0.404956D+02 -0.130666D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.831109D+02  0.102176D+02  0.246233D+01
      2  -0.317606D+02 -0.150061D+02 -0.161103D+02
      3  -0.513503D+02  0.478852D+01  0.136480D+02
      4  -0.193435D+02  0.740275D+02  0.336493D+02
      5   0.307771D+02  0.350892D+02 -0.106510D+02
      6   0.129701D+02  0.102626D+02 -0.165429D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.708747D+01  0.463104D+00 -0.168688D+00  0.169807D+01 -0.200808D+01
      2   0.463104D+00  0.749597D+00  0.456284D+00 -0.200808D+01  0.298923D+01
      3  -0.168688D+00  0.456284D+00  0.414181D+00  0.124943D+01 -0.243728D+01
                 6             7             8             9            10 
      1   0.124943D+01 -0.143746D+00  0.906773D+00 -0.135282D+01  0.553329D+01
      2  -0.243728D+01  0.906773D+00 -0.586587D+00  0.110798D+01  0.150922D+01
      3   0.969315D+00 -0.135282D+01  0.110798D+01 -0.160211D+01 -0.826127D+00
                11            12            13            14            15 
      1   0.150922D+01 -0.826127D+00  0.457250D+01  0.353742D+01 -0.180408D+01
      2   0.123543D+01 -0.120873D+01  0.353742D+01  0.174375D+01  0.369183D+01
      3  -0.120873D+01  0.200102D+01 -0.180408D+01  0.369183D+01  0.336081D+01
                16            17            18            19            20 
      1  -0.465062D+01 -0.167357D+01  0.420200D+01 -0.115785D+02  0.196205D+01
      2  -0.167357D+01  0.200942D+01  0.385416D+01  0.196205D+01 -0.171841D+01
      3   0.420200D+01  0.385416D+01  0.635129D+00 -0.994369D+00  0.421212D+00
                21            22            23            24            25 
      1  -0.994369D+00  0.679959D+00 -0.871112D+00 -0.144319D-01  0.395433D+00
      2   0.421212D+00 -0.871112D+00  0.652783D+00  0.160866D-03 -0.127583D+00
      3  -0.148386D+01 -0.144319D-01  0.160866D-03  0.157441D+00 -0.666211D+00
                26            27            28            29            30 
      1  -0.127583D+00 -0.666211D+00 -0.878515D+00 -0.119342D+01 -0.101157D+01
      2   0.140954D+00  0.319216D+00 -0.119342D+01 -0.944657D+00 -0.363998D+00
      3   0.319216D+00 -0.427146D+00 -0.101157D+01 -0.363998D+00 -0.123060D+01
                31            32            33            34            35 
      1  -0.339560D+01 -0.173750D+01 -0.710469D+00 -0.198046D+01 -0.733110D+00
      2  -0.173750D+01 -0.407574D+01 -0.248177D+01 -0.733110D+00 -0.266157D+01
      3  -0.710469D+00 -0.248177D+01 -0.286098D+01 -0.186144D+01 -0.265577D+01
                36            37            38            39            40 
      1  -0.186144D+01  0.941610D+01  0.153856D+01  0.604949D+00 -0.120186D+00
      2  -0.265577D+01  0.153856D+01 -0.223077D+01  0.877348D+00 -0.251920D+01
      3  -0.425311D+01  0.604949D+00  0.877348D+00 -0.219016D+01  0.172184D+01
                41            42            43            44            45 
      1  -0.251920D+01  0.172184D+01  0.558535D+01  0.206722D+01 -0.344518D+01
      2   0.237701D+01 -0.303946D+01  0.206722D+01 -0.190119D+01 -0.304642D+01
      3  -0.303946D+01 -0.291633D+01 -0.344518D+01 -0.304642D+01 -0.491620D+00
                46            47            48            49            50 
      1  -0.185544D+02 -0.293788D+01  0.187731D+00 -0.370834D+01  0.913729D+00
      2  -0.293788D+01 -0.285458D+01  0.137525D-01  0.913729D+00 -0.122092D+00
      3   0.187731D+00  0.137525D-01 -0.186313D+01  0.137861D+01 -0.340942D+00
                51            52            53            54            55 
      1   0.137861D+01 -0.383873D+00  0.129876D+01 -0.382384D+01  0.260804D+00
      2  -0.340942D+00  0.129876D+01 -0.441934D+00 -0.707661D+00 -0.948757D+00
      3  -0.238231D+00 -0.382384D+01 -0.707661D+00 -0.114187D+01  0.173572D+00
                56            57            58            59            60 
      1  -0.948757D+00  0.173572D+00 -0.192553D+01  0.533890D+00 -0.864021D-01
      2   0.163280D+01 -0.763787D+00  0.533890D+00 -0.608241D+01  0.237871D+01
      3  -0.763787D+00  0.110546D+01 -0.864021D-01  0.237871D+01 -0.207712D+01
                61            62            63            64            65 
      1   0.138748D+00 -0.343631D+00  0.308351D+00 -0.138290D+02 -0.217837D+01
      2  -0.343631D+00  0.161726D+01 -0.124612D+01 -0.217837D+01 -0.144308D+01
      3   0.308351D+00 -0.124612D+01  0.164848D+01  0.118364D+01  0.364153D+00
                66            67            68            69            70 
      1   0.118364D+01 -0.160379D+01 -0.140620D+01  0.155276D-01 -0.161544D+01
      2   0.364153D+00 -0.140620D+01 -0.101413D+01  0.464354D+00 -0.315009D+00
      3  -0.156814D+01  0.155276D-01  0.464354D+00 -0.553784D-01 -0.836783D+00
                71            72            73            74            75 
      1  -0.315009D+00 -0.836783D+00 -0.245761D+00  0.406976D+00  0.412227D+00
      2  -0.171119D+00  0.937997D-01  0.406976D+00  0.482742D+00 -0.125817D-02
      3   0.937997D-01 -0.708563D-01  0.412227D+00 -0.125817D-02  0.107550D+01
                76            77            78            79            80 
      1   0.163628D+01  0.100672D+00 -0.720646D+00  0.108054D+01 -0.118664D+00
      2   0.100672D+00  0.200171D+01  0.189957D+01 -0.118664D+00  0.189904D+01
      3  -0.720646D+00  0.189957D+01  0.342634D+01 -0.310850D+00  0.158808D+01
                81            82            83            84            85 
      1  -0.310850D+00  0.362035D+01 -0.713213D+00  0.137037D+00  0.817839D+01
      2   0.158808D+01 -0.713213D+00 -0.331207D+01 -0.793838D+00  0.377945D+00
      3   0.499958D+01  0.137037D+00 -0.793838D+00 -0.200807D+01  0.225590D+00
                86            87            88            89            90 
      1   0.377945D+00  0.225590D+00  0.287221D+01 -0.234787D+00 -0.189242D+01
      2   0.174083D+01 -0.738157D+00 -0.234787D+00 -0.175062D+01  0.305336D+01
      3  -0.738157D+00  0.141870D+01 -0.189242D+01  0.305336D+01  0.124281D+01
                91            92            93            94            95 
      1  -0.360057D+01 -0.400214D+00 -0.265638D+00  0.488940D+01  0.279601D+00
      2  -0.400214D+00  0.283072D+01 -0.278409D+00  0.279601D+00  0.128278D+01
      3  -0.265638D+00 -0.278409D+00  0.743576D+00 -0.422001D+00 -0.113924D+01
                96            97            98            99           100 
      1  -0.422001D+00  0.561284D+00 -0.945517D+00  0.197418D+01  0.574104D+01
      2  -0.113924D+01 -0.945517D+00 -0.131797D+01  0.358688D+01  0.462998D+00
      3   0.181932D+01  0.197418D+01  0.358688D+01  0.281889D+01 -0.635536D+00
               101           102           103           104           105 
      1   0.462998D+00 -0.635536D+00  0.132052D+01 -0.401125D+00 -0.140618D+01
      2   0.323649D+01  0.658255D-01 -0.401125D+00  0.328272D+00 -0.614393D+00
      3   0.658255D-01  0.285808D+01 -0.140618D+01 -0.614393D+00 -0.105905D+00
               106           107           108           109           110 
      1  -0.965599D-01 -0.139893D+01  0.517818D+01 -0.274708D+01 -0.700497D+00
      2  -0.139893D+01  0.238494D+00  0.284915D+00 -0.700497D+00  0.249463D+01
      3   0.517818D+01  0.284915D+00  0.121250D+01 -0.482018D+00  0.957216D+00
               111           112           113           114           115 
      1  -0.482018D+00 -0.579140D+01 -0.734365D+00 -0.104445D+01 -0.201709D+01
      2   0.957216D+00 -0.734365D+00 -0.117530D+01  0.138899D+01 -0.631103D+00
      3   0.185429D+01 -0.104445D+01  0.138899D+01 -0.178533D+01  0.288452D+01
               116           117           118           119           120 
      1  -0.631103D+00  0.288452D+01  0.472337D+01  0.243827D+01  0.703833D+00
      2   0.191215D+01 -0.300048D+01  0.243827D+01 -0.259623D+01 -0.315190D-01
      3  -0.300048D+01 -0.164789D+01  0.703833D+00 -0.315190D-01 -0.121264D+01
               121           122           123           124           125 
      1  -0.674028D+01 -0.798916D+00  0.381930D+00 -0.601147D+00  0.117360D+01
      2  -0.798916D+00 -0.173207D+01  0.116461D+01  0.117360D+01  0.112922D+01
      3   0.381930D+00  0.116461D+01 -0.113773D+01 -0.726027D+00 -0.303976D+01
               126           127           128           129           130 
      1  -0.726027D+00 -0.318561D+01  0.214842D+01  0.168115D+00  0.238871D+01
      2  -0.303976D+01  0.214842D+01 -0.279583D+01 -0.299283D+00 -0.274005D+01
      3  -0.289073D+01  0.168115D+00 -0.299283D+00 -0.429351D+00 -0.496137D+00
               131           132           133           134           135 
      1  -0.274005D+01 -0.496137D+00  0.664393D-01 -0.366390D+00 -0.825488D-01
      2   0.618816D+01  0.823151D+00 -0.366390D+00  0.112416D+01  0.260807D+00
      3   0.823151D+00  0.976965D+00 -0.825488D-01  0.260807D+00  0.186107D+00
               136           137           138           139           140 
      1   0.243291D+01  0.264303D+01  0.784048D+00  0.246076D+01  0.371083D+01
      2   0.264303D+01  0.291843D+01  0.777680D+00  0.371083D+01  0.883188D+01
      3   0.784048D+00  0.777680D+00  0.644305D+00  0.970775D+00  0.210441D+01
               141           142           143           144           145 
      1   0.970775D+00  0.802447D+00  0.113750D+01  0.354058D+00  0.130232D+02
      2   0.210441D+01  0.113750D+01  0.232791D+01  0.605667D+00  0.900115D+00
      3   0.149113D+01  0.354058D+00  0.605667D+00  0.415513D+00  0.121675D+01
               146           147           148           149           150 
      1   0.900115D+00  0.121675D+01  0.785063D+00  0.156259D+01  0.463730D+00
      2   0.926756D+00  0.549952D-01  0.156259D+01  0.352380D+00  0.172021D+00
      3   0.549952D-01  0.111871D+01  0.463730D+00  0.172021D+00  0.149768D+00
               151           152           153           154           155 
      1   0.134532D+01  0.468394D+00  0.127141D+00  0.452241D+01 -0.364344D+01
      2   0.468394D+00  0.135461D+00  0.268364D-01 -0.364344D+01  0.351956D+01
      3   0.127141D+00  0.268364D-01  0.175420D+00 -0.616882D+00  0.477855D+00
               156           157           158           159           160 
      1  -0.616882D+00 -0.362118D+01  0.430511D+01  0.903445D+00 -0.539072D+00
      2   0.477855D+00  0.430511D+01 -0.668765D+01 -0.118265D+01  0.699166D+00
      3   0.674838D+00  0.903445D+00 -0.118265D+01 -0.105219D+01  0.183664D+00
               161           162           163           164           165 
      1   0.699166D+00  0.183664D+00 -0.174154D+01 -0.175695D+01 -0.571071D+00
      2  -0.140211D+01 -0.314893D+00 -0.175695D+01 -0.213152D+01 -0.725495D+00
      3  -0.314893D+00 -0.243467D+00 -0.571071D+00 -0.725495D+00 -0.503993D+00
               166           167           168           169           170 
      1  -0.170334D+01 -0.210523D+01 -0.606067D+00 -0.819774D+00 -0.863131D+00
      2  -0.210523D+01 -0.759941D+01 -0.211391D+01 -0.863131D+00 -0.230097D+01
      3  -0.606067D+00 -0.211391D+01 -0.154060D+01 -0.213960D+00 -0.770599D+00
               171 
      1  -0.213960D+00
      2  -0.770599D+00
      3  -0.565630D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.424530D+00  0.672508D+00  0.881072D+00 -0.183468D+00 -0.372951D+01
      2   0.611230D+01 -0.876397D+00  0.142098D+01  0.264327D+00  0.337783D+01
      3   0.147090D+02 -0.412643D+01  0.175133D+01  0.278304D+01  0.102037D+02
                 6             7             8             9            10 
      1  -0.480760D+01 -0.224667D+01  0.426404D+01  0.667910D+00 -0.163459D+01
      2  -0.366284D+01 -0.272643D+01 -0.307719D+00  0.317871D+01  0.250244D+01
      3  -0.496432D+01  0.664558D+00 -0.167202D+01  0.260082D+01  0.170666D+01
                11            12            13            14            15 
      1  -0.411918D+00 -0.384622D+00  0.137982D+01  0.259856D+01  0.188891D+01
      2   0.173237D+01 -0.253971D+01  0.308331D+01 -0.603328D+01 -0.457183D+01
      3   0.112159D+01 -0.235798D+00  0.104892D+02 -0.270546D+01  0.789119D+01
                16            17            18            19            20 
      1   0.482927D+01  0.475938D+01 -0.180077D+01 -0.596752D+00  0.871608D+00
      2  -0.142062D+02 -0.899664D+01 -0.110197D+01 -0.623039D+01  0.283807D+00
      3  -0.108845D+01  0.714498D+01  0.590930D+01 -0.915619D+01 -0.446509D+01
                21            22            23            24            25 
      1   0.111812D+01  0.403733D+00 -0.189600D+00 -0.519909D+00  0.384418D+00
      2   0.568890D+01 -0.421047D-01 -0.988339D+00  0.259220D+00  0.843591D+00
      3   0.714455D-01 -0.880899D+00  0.319570D+00  0.489383D+00  0.212342D+00
                26            27            28            29            30 
      1   0.175006D+00 -0.386737D+00 -0.955379D+00  0.164019D+00 -0.104810D+01
      2  -0.396561D+00  0.753920D-01  0.127057D+01  0.449100D+00  0.266280D+01
      3   0.548440D+00 -0.190540D+00 -0.252149D+01 -0.287301D+01 -0.223036D+00
                31            32            33            34            35 
      1  -0.232941D+00  0.121295D+01 -0.287032D+01 -0.133326D+01  0.127372D+01
      2  -0.825240D+00  0.412154D+01  0.520792D+01 -0.604751D-01  0.400298D+01
      3   0.900593D+00 -0.739227D+01 -0.494267D+01  0.109045D+01 -0.534538D+01
                36            37            38            39            40 
      1  -0.252457D+01  0.382652D+01 -0.315153D+01 -0.148108D+01 -0.457126D+00
      2   0.677893D+01 -0.127521D+02 -0.460324D+01  0.860007D+01 -0.641253D+01
      3  -0.440997D+01 -0.316797D+01 -0.110680D+02  0.923139D+00 -0.483522D+01
                41            42            43            44            45 
      1   0.227181D+01 -0.103690D+02 -0.194396D+01 -0.523392D+01 -0.296496D+01
      2   0.108116D+02  0.583411D+01  0.544681D+01  0.688465D+01  0.459498D+01
      3   0.109313D+02 -0.110957D+02  0.137021D+01 -0.990359D+01 -0.532434D+01
                46            47            48            49            50 
      1  -0.495115D+00 -0.388031D+00 -0.267108D+00 -0.237114D+01 -0.366360D+01
      2  -0.272837D+01 -0.147308D+01 -0.154937D+01 -0.143807D+01  0.516863D+00
      3  -0.336910D+01  0.643403D+01  0.115836D+01  0.164193D+02  0.183420D+01
                51            52            53            54            55 
      1   0.990243D+00  0.818811D-01  0.993982D+01  0.263371D+01 -0.160018D+01
      2   0.862200D+00 -0.133266D+02  0.716455D+00  0.257829D+00 -0.207884D+01
      3  -0.140681D+01  0.393178D+00  0.706694D+00 -0.445165D+00 -0.487593D+01
                56            57            58            59            60 
      1   0.202165D+01  0.117038D+01  0.134279D+01 -0.582245D+01 -0.112492D+01
      2   0.255227D+01 -0.207410D+01  0.323787D+01 -0.723613D+01  0.488757D+01
      3   0.501569D+01 -0.154935D+01  0.679347D+01 -0.158452D+02  0.617019D+01
                61            62            63            64            65 
      1   0.547747D+00  0.234254D+01  0.406893D+00 -0.624057D+00 -0.165003D+01
      2  -0.227085D+01  0.312797D+01 -0.381351D+01  0.961676D+01  0.776961D+00
      3  -0.757477D+00  0.443120D+01 -0.374048D+01  0.599215D+01 -0.598938D+01
                66            67            68            69            70 
      1  -0.169714D+01 -0.115860D+01 -0.592858D+00 -0.278110D+00 -0.111846D+01
      2   0.712219D+01  0.166626D+01 -0.428827D+00  0.394358D+00  0.141175D+01
      3   0.307298D+00 -0.113300D+01 -0.214957D+01  0.139360D+01 -0.891614D-02
                71            72            73            74            75 
      1   0.104770D+01 -0.924313D-01  0.132566D+01  0.146463D+01  0.591557D+00
      2  -0.364292D+00  0.717919D+00 -0.177228D+01 -0.848548D+00 -0.234740D+01
      3   0.458866D+00  0.142822D+01  0.177196D+01  0.102929D+01 -0.942869D-01
                76            77            78            79            80 
      1   0.531172D+00  0.540778D+01  0.364597D+01 -0.227496D+00  0.614415D+01
      2  -0.146668D+01 -0.548782D+01 -0.827748D+01 -0.286999D+01 -0.448347D+01
      3   0.161203D+01  0.546801D+01  0.539783D+01 -0.595482D+00  0.533532D+01
                81            82            83            84            85 
      1   0.637712D+01 -0.491618D+00  0.976419D-01  0.293541D+01 -0.826313D+00
      2  -0.120203D+02  0.219705D+01  0.206945D+00 -0.132473D+01  0.404017D+01
      3   0.489797D+01  0.261195D+01  0.744022D-01  0.131188D+01  0.461499D+01
                86            87            88            89            90 
      1   0.408191D+00 -0.216949D+01  0.646063D+01  0.310557D+01  0.592984D-01
      2   0.121394D+01  0.563262D+00 -0.119841D+02 -0.449434D+00  0.515573D-01
      3  -0.670663D+01  0.710722D+00 -0.696410D+00 -0.482931D+00 -0.509572D+01
                91            92            93            94            95 
      1   0.814252D+00  0.774270D+00 -0.151542D+01  0.154834D+01 -0.526394D-01
      2  -0.354061D+00  0.243723D+01  0.834392D-01  0.147396D+01 -0.344151D+01
      3  -0.242664D+00 -0.109613D+02 -0.262509D+01  0.414964D+01 -0.167496D+01
                96            97            98            99           100 
      1  -0.313138D+01 -0.505642D+01  0.125265D+01 -0.134650D+01  0.211582D+00
      2   0.497586D+01 -0.796016D+01  0.864450D+01  0.455087D+01  0.457816D-01
      3   0.208953D+01 -0.491540D+00  0.248894D+01 -0.456050D+01 -0.112392D+01
               101           102           103           104           105 
      1  -0.797356D+00 -0.104162D+01 -0.106357D+01 -0.329385D+01  0.234110D+01
      2  -0.382664D+00  0.791060D+01 -0.479426D+01 -0.183777D+00  0.193632D+00
      3  -0.736630D+01  0.234307D+00  0.108056D+02  0.515162D+00  0.167835D+01
               106           107           108           109           110 
      1  -0.183038D+01  0.107839D+02  0.319644D+01 -0.757096D+00 -0.100368D+01
      2   0.744524D+01  0.137764D+01  0.285040D+01 -0.110234D+01  0.243264D+01
      3   0.456112D+01  0.137805D+01  0.420170D+00  0.115500D+01 -0.113940D+02
               111           112           113           114           115 
      1   0.263972D+01 -0.173452D+01  0.150010D-01 -0.235939D+01  0.688141D+01
      2   0.253969D+01 -0.108134D+01  0.385215D+01 -0.529001D+01 -0.441048D+01
      3  -0.251085D+01  0.592998D+01  0.615896D+00 -0.253206D+01 -0.470105D+00
               116           117           118           119           120 
      1   0.318769D+01  0.134909D+01  0.389670D-01  0.183095D+01 -0.226275D+01
      2  -0.943610D+01 -0.470782D+01  0.393019D+01  0.175501D+01 -0.951597D+00
      3  -0.450708D+01  0.343683D+01 -0.171370D+01 -0.187819D+01 -0.238982D+01
               121           122           123           124           125 
      1   0.143993D+01  0.468774D+00 -0.249773D+01 -0.509745D+01  0.152718D+01
      2   0.181672D+01 -0.103964D+01 -0.128189D+01 -0.134054D+02 -0.128571D+01
      3   0.190756D+01  0.714372D+01  0.113672D+00 -0.372786D+01 -0.597063D+00
               126           127           128           129           130 
      1  -0.450121D+00  0.410478D+00 -0.681113D+00  0.209297D+01  0.163058D+00
      2  -0.282099D+01  0.169967D+01 -0.708257D+00  0.351001D+00 -0.729246D+00
      3   0.512189D+01 -0.908692D+01  0.342209D+01  0.785691D-01  0.693803D+01
               131           132           133           134           135 
      1  -0.540186D-01 -0.336899D+01 -0.122985D+00  0.183827D+01 -0.678081D-01
      2   0.121404D+01 -0.927771D+00 -0.157267D+01  0.590135D+00 -0.269339D+00
      3  -0.513109D+01 -0.117518D+01 -0.227077D+00 -0.731041D+00 -0.250757D+00
               136           137           138           139           140 
      1  -0.230484D+00  0.102351D+00 -0.187280D+01 -0.191938D+00  0.597400D+00
      2   0.439269D+00  0.811527D+00  0.197303D+01  0.624356D+00  0.311301D+01
      3  -0.811517D+00 -0.293391D+01 -0.560956D+00 -0.117843D+01 -0.128379D+02
               141           142           143           144           145 
      1  -0.445532D+01  0.569828D+00  0.206870D+01 -0.706537D+00 -0.122097D+00
      2   0.379081D+01 -0.549914D+00  0.263616D+00  0.919753D+00  0.163965D+01
      3  -0.275141D+01 -0.472565D+00 -0.341770D+01 -0.699656D+00 -0.206961D+00
               146           147           148           149           150 
      1   0.467496D+00 -0.485860D+00  0.962062D-01 -0.593385D-02 -0.391753D+00
      2  -0.898664D-01  0.669834D+01  0.169254D+01  0.370155D+00  0.738161D+00
      3  -0.559694D+01  0.171538D+00 -0.348665D+01 -0.857456D+00 -0.373372D+00
               151           152           153           154           155 
      1   0.241892D+00  0.591330D+00 -0.630118D-05  0.243110D+00 -0.719722D+00
      2  -0.265389D+01 -0.896714D-01  0.602248D+00  0.157578D+00 -0.103072D+00
      3  -0.133168D+01 -0.773143D+00 -0.137160D+00  0.146630D+01 -0.501791D+01
               156           157           158           159           160 
      1   0.227184D+01  0.296831D+00  0.303346D+00 -0.356527D+01 -0.896237D+00
      2   0.281735D+01  0.754234D+00 -0.148417D+01 -0.362993D+01 -0.724495D+00
      3  -0.224841D+00 -0.295489D+01  0.110300D+02  0.144041D+01 -0.105248D+01
               161           162           163           164           165 
      1   0.168592D+01 -0.431420D+00  0.212268D+00  0.336251D+00 -0.164457D+01
      2   0.429565D+00 -0.556828D+00 -0.192166D+01 -0.116235D+01  0.111484D-01
      3   0.253356D+01  0.400843D+00  0.630796D+01  0.334500D+01  0.121683D+01
               166           167           168           169           170 
      1   0.346508D+00  0.930295D+00 -0.404964D+01  0.431666D+00  0.247468D+01
      2  -0.186426D+01 -0.226762D+01 -0.653450D-01 -0.229611D+01 -0.782708D+00
      3   0.699603D+01  0.779374D+01  0.253708D+01  0.262819D+01  0.240389D+01
               171 
      1  -0.729257D+00
      2   0.417551D-01
      3   0.638244D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.341873D+02  0.246535D+01  0.517625D+00 -0.675713D+01 -0.645744D+01
      2   0.186991D+02 -0.347183D+01 -0.145041D+01  0.123961D+01  0.136677D+02
      3   0.154883D+02  0.100648D+01  0.932785D+00  0.551752D+01 -0.721026D+01
      4   0.567060D+01  0.440764D+01 -0.194226D+01  0.180078D+02 -0.193484D+02
      5  -0.540500D+01 -0.202174D+01  0.620142D+01 -0.970841D+01  0.110642D+02
      6  -0.184786D+01 -0.175971D+00 -0.235616D+01  0.415293D+01 -0.596294D+01
                 6             7             8             9            10 
      1   0.123915D+01  0.130939D+01  0.273434D+01 -0.315983D+01  0.956231D+01
      2   0.214174D+01 -0.146861D+01 -0.230026D+01 -0.536851D+01 -0.205630D+01
      3  -0.338089D+01  0.159222D+00 -0.434078D+00  0.852834D+01 -0.750601D+01
      4   0.116907D+02 -0.676784D+01  0.437878D+01 -0.538915D+01 -0.410117D+01
      5  -0.794129D+01  0.124658D+02 -0.583270D+01  0.936766D+01  0.491021D+01
      6   0.127021D+02 -0.168626D+01  0.749619D+01 -0.664086D+01  0.238398D+01
                11            12            13            14            15 
      1   0.103874D+01 -0.188027D+01  0.417236D+01  0.304340D+00  0.576730D+01
      2   0.121537D+01 -0.197033D+00  0.181166D+01 -0.461149D+00 -0.115642D+02
      3  -0.225411D+01  0.207730D+01 -0.598403D+01  0.156809D+00  0.579685D+01
      4  -0.117128D+02  0.354076D+01 -0.213058D+02 -0.530098D+01 -0.173319D+02
      5   0.427183D+01 -0.145569D+02  0.131025D+02 -0.164207D+02 -0.121093D+02
      6   0.892674D+00 -0.950495D+00 -0.504987D+01 -0.596292D+01 -0.146598D+02
                16            17            18            19            20 
      1   0.113598D+02  0.732956D+01 -0.154533D+01  0.631158D+02 -0.904103D+01
      2  -0.922265D+01 -0.288622D+01  0.431664D+01 -0.331250D+02  0.356342D+01
      3  -0.213710D+01 -0.444334D+01 -0.277131D+01 -0.299907D+02  0.547762D+01
      4   0.126711D+02 -0.102224D+02 -0.198650D+02 -0.225458D+02  0.118858D+02
      5  -0.249796D+02 -0.184057D+02 -0.163420D+01  0.143266D+02 -0.317418D+01
      6  -0.112827D+02 -0.111006D+02 -0.529749D+00 -0.220562D+01  0.137310D+01
                21            22            23            24            25 
      1   0.397322D+01 -0.288650D+00  0.343064D+01  0.446793D-01 -0.926413D+00
      2  -0.356997D+01 -0.126591D+01 -0.420915D+00 -0.642313D-01 -0.179415D-01
      3  -0.403251D+00  0.155456D+01 -0.300972D+01  0.195520D-01  0.944354D+00
      4  -0.266858D+01  0.775937D+01 -0.367623D+01  0.285686D+00  0.108877D+01
      5   0.958336D+01 -0.226483D-01  0.766296D+00 -0.448828D+00  0.579434D+01
      6  -0.218634D+01  0.148689D+01 -0.207357D+00  0.164344D+01 -0.108961D+01
                26            27            28            29            30 
      1   0.822927D+00  0.237038D+01  0.319424D+01  0.220381D+01  0.303978D+01
      2   0.174565D+00 -0.230186D+01 -0.189105D+01 -0.938381D+00 -0.149063D+01
      3  -0.997491D+00 -0.685235D-01 -0.130318D+01 -0.126543D+01 -0.154915D+01
      4  -0.479530D+00 -0.179532D+01  0.749750D+01  0.917131D+01  0.373768D+01
      5  -0.159997D+01  0.240184D+01  0.597228D+01  0.370817D+01  0.983446D+01
      6   0.105590D+01 -0.303284D+00  0.449192D+01  0.169328D+01  0.244528D+01
                31            32            33            34            35 
      1   0.238710D+01 -0.740669D+01 -0.563953D+01  0.176470D+01 -0.634923D+01
      2  -0.100005D+01  0.810010D+01  0.395099D+01 -0.197836D+01  0.185937D+01
      3  -0.138705D+01 -0.693402D+00  0.168853D+01  0.213654D+00  0.448986D+01
      4   0.114014D+02  0.187260D+02  0.111306D+02  0.525030D+01  0.121486D+02
      5   0.503113D+01  0.105667D+02  0.124813D+02  0.125500D+02  0.113678D+02
      6   0.407996D+01  0.129857D+02  0.124499D+02  0.536785D+01  0.123063D+02
                36            37            38            39            40 
      1  -0.837533D+01 -0.582617D+02 -0.159545D+02  0.563047D+01 -0.141443D+02
      2  -0.321363D+01  0.232157D+02  0.119264D+02  0.740532D+00  0.775988D+01
      3   0.115890D+02  0.350460D+02  0.402806D+01 -0.637100D+01  0.638446D+01
      4   0.121816D+02 -0.196568D+02  0.887270D+01 -0.288821D+01  0.110868D+02
      5   0.175926D+02  0.747913D+01 -0.570617D+00  0.119640D+02 -0.618662D+01
      6   0.135137D+02  0.101496D+01 -0.713139D+01  0.437484D+01 -0.492271D+01
                41            42            43            44            45 
      1   0.213238D+02 -0.188631D+01 -0.519723D+01 -0.286731D+01  0.104596D+02
      2  -0.135349D+02  0.153878D+02  0.830121D+01  0.121705D+02 -0.425038D+01
      3  -0.778887D+01 -0.135015D+02 -0.310398D+01 -0.930317D+01 -0.620923D+01
      4  -0.598671D+01  0.128355D+02 -0.118577D+02  0.856530D+01  0.182079D+02
      5   0.847111D+01  0.142871D+02  0.221523D+02  0.162221D+02 -0.316284D+01
      6   0.663532D+01 -0.447934D+01  0.911859D+01 -0.360754D+00 -0.966793D+01
                46            47            48            49            50 
      1  -0.166920D+02 -0.684844D+00 -0.221986D+01  0.245271D+01 -0.665257D+01
      2   0.465914D+01  0.214358D+00 -0.364105D+00 -0.392424D+01  0.113296D+02
      3   0.120328D+02  0.470487D+00  0.258396D+01  0.147153D+01 -0.467704D+01
      4   0.109553D+02  0.369453D+01  0.100572D+00 -0.697784D+01 -0.317787D+01
      5  -0.728120D+01 -0.652409D+00 -0.518106D+00 -0.496568D+01  0.137449D+01
      6  -0.323554D+01  0.603000D+00  0.506995D+00 -0.238296D+01  0.480118D+01
                51            52            53            54            55 
      1  -0.553178D+00 -0.817578D+01 -0.200393D+01 -0.846307D+01 -0.877451D+00
      2   0.627638D+01  0.354059D+00  0.318726D+01 -0.247664D+01  0.275699D+01
      3  -0.572320D+01  0.782172D+01 -0.118333D+01  0.109397D+02 -0.187954D+01
      4   0.956724D+00 -0.556554D+01  0.330344D+00  0.282744D+01  0.146567D+01
      5   0.155496D+01  0.499344D+01  0.226769D+01 -0.587645D+00  0.982634D+00
      6  -0.754715D+00 -0.357045D+00  0.740181D+01 -0.267916D+01 -0.249107D+01
                56            57            58            59            60 
      1   0.973326D+01 -0.517795D+01  0.106054D+02 -0.231346D+02  0.976788D+01
      2  -0.858607D+01  0.162576D+01 -0.665660D+01  0.262940D+02 -0.628207D+01
      3  -0.114718D+01  0.355219D+01 -0.394881D+01 -0.315944D+01 -0.348581D+01
      4  -0.266653D+01  0.114905D+01  0.351264D+01  0.225708D+02 -0.902769D+01
      5  -0.391381D+00 -0.219375D+01 -0.417933D+01 -0.651851D+01  0.679054D+01
      6   0.559866D+01 -0.423816D+01  0.163254D+01 -0.183311D+02  0.121604D+02
                61            62            63            64            65 
      1  -0.234993D+01  0.710516D+01 -0.894097D+01  0.837542D+02  0.995633D+01
      2   0.653398D+00 -0.409261D+01  0.274566D+01 -0.409372D+02 -0.257894D+01
      3   0.169653D+01 -0.301256D+01  0.619531D+01 -0.428170D+02 -0.737739D+01
      4   0.665753D+00 -0.593523D+01  0.354912D+01  0.276972D+02  0.158081D+02
      5   0.147942D+01  0.337664D+01 -0.475457D+01 -0.224528D+02 -0.424044D+01
      6  -0.190684D+01  0.103624D+02 -0.653693D+01 -0.378399D+01 -0.318127D+01
                66            67            68            69            70 
      1  -0.253008D+01  0.683655D+01  0.493692D+01  0.439965D+00  0.756846D+01
      2   0.443445D+01 -0.126964D+01 -0.497010D+00 -0.101829D+01 -0.164775D+01
      3  -0.190436D+01 -0.556691D+01 -0.443991D+01  0.578323D+00 -0.592071D+01
      4  -0.277772D+01  0.142873D+02  0.759787D+01 -0.239312D+01  0.243140D+01
      5   0.140899D+02 -0.196417D+01 -0.321976D+01  0.926636D+00  0.872652D+01
      6   0.339926D+01 -0.208518D+01 -0.208485D+01  0.258153D+01  0.241110D+01
                71            72            73            74            75 
      1   0.677529D+00  0.512322D+01  0.361897D+01 -0.799959D+00 -0.572297D+01
      2  -0.542975D+00 -0.405841D+01 -0.300049D+01 -0.126971D+00  0.180361D+00
      3  -0.134554D+00 -0.106482D+01 -0.618480D+00  0.926930D+00  0.554261D+01
      4   0.107467D+01  0.812242D+00 -0.402283D+00 -0.129481D+01  0.109970D+00
      5   0.128732D+00 -0.473250D+00 -0.199541D+01  0.143755D+01 -0.524837D+00
      6   0.160279D+01  0.452527D+00  0.148654D+01  0.189316D+01 -0.276584D+00
                76            77            78            79            80 
      1  -0.504671D+01 -0.634111D+01 -0.573144D+01 -0.538476D+01 -0.363541D+01
      2   0.356334D+01 -0.368460D+00 -0.756001D+01  0.351827D+01 -0.606246D+01
      3   0.148337D+01  0.670957D+01  0.132915D+02  0.186649D+01  0.969787D+01
      4   0.564119D+00 -0.104254D+02 -0.943154D+01 -0.207023D+00 -0.957151D+01
      5   0.671901D+01 -0.761698D+01 -0.149008D+02  0.641087D+01 -0.680796D+01
      6  -0.726529D-01  0.687965D+01  0.679865D+01 -0.227094D+00  0.672304D+01
                81            82            83            84            85 
      1  -0.133222D+02  0.243485D+01  0.161951D+02  0.551091D+01 -0.482161D+01
      2  -0.121601D+02 -0.394018D+01 -0.111113D+02 -0.327376D+00  0.117676D+02
      3   0.254823D+02  0.150533D+01 -0.508386D+01 -0.518353D+01 -0.694599D+01
      4  -0.867950D+01  0.802412D+01 -0.116889D+02 -0.479252D+00  0.183308D+01
      5  -0.201199D+02  0.397877D+01 -0.122316D+01 -0.171079D+01  0.303674D+01
      6   0.438949D+01  0.241355D+01 -0.199059D+01 -0.567621D+01  0.752876D+01
                86            87            88            89            90 
      1   0.930025D+00  0.412271D+01 -0.115007D+01  0.620793D+01 -0.138006D+02
      2  -0.387454D+01 -0.320621D+01  0.602926D+01 -0.835990D+01  0.176561D+01
      3   0.294452D+01 -0.916501D+00 -0.487919D+01  0.215197D+01  0.120350D+02
      4   0.141805D+02  0.275860D+01  0.248072D+01  0.178901D+00  0.337398D+01
      5   0.242186D+01  0.315034D+00  0.447638D+01  0.281176D+01 -0.114793D+01
      6  -0.534915D+01  0.481749D+01 -0.182828D+01  0.117809D+02 -0.665161D-01
                91            92            93            94            95 
      1   0.650633D+01 -0.210419D+02 -0.273498D+01  0.217920D+02  0.110909D+02
      2  -0.504554D+01  0.139526D+02  0.877795D+00 -0.196936D+02 -0.133690D+02
      3  -0.146079D+01  0.708935D+01  0.185719D+01 -0.209841D+01  0.227816D+01
      4  -0.124729D+02 -0.556527D+01 -0.444205D+01  0.950483D+01 -0.270190D+01
      5  -0.625884D+01 -0.278166D+01 -0.277110D+01  0.315506D+00 -0.754879D+01
      6  -0.511222D+01 -0.180799D+01  0.363989D+01 -0.587611D+01 -0.114938D+02
                96            97            98            99           100 
      1   0.334507D+01  0.459079D+01 -0.803874D+00 -0.578979D+01 -0.114205D+02
      2  -0.722838D+01 -0.838187D+01 -0.822010D+01 -0.564338D+01  0.710238D+01
      3   0.388331D+01  0.379107D+01  0.902398D+01  0.114332D+02  0.431809D+01
      4  -0.713966D+01 -0.472673D+01 -0.110535D+02  0.128153D+02 -0.206628D+01
      5   0.101893D+02  0.125623D+02  0.131685D+02  0.975450D+01 -0.634177D+01
      6   0.433831D+01  0.480601D+01  0.129521D+02  0.355094D+01  0.713382D+00
               101           102           103           104           105 
      1  -0.218456D+01 -0.697160D+01  0.778771D+01 -0.196270D+02 -0.822702D+01
      2   0.179210D+01  0.328478D+01 -0.568535D+01  0.172195D+02  0.113555D+02
      3   0.392464D+00  0.368682D+01 -0.210236D+01  0.240745D+01 -0.312852D+01
      4   0.227330D+02  0.476347D+00 -0.185856D+02 -0.499343D+01 -0.437210D+01
      5   0.218548D+00  0.179049D+02 -0.137981D+02 -0.170054D+01  0.385877D+00
      6   0.517366D+00  0.218615D+01 -0.323998D+01  0.451961D+01 -0.393624D+01
               106           107           108           109           110 
      1  -0.658602D+01 -0.903453D+01  0.128302D+02  0.694887D+00  0.222105D+02
      2   0.136778D+01  0.665896D+01 -0.160175D+02 -0.374894D+01 -0.136285D+02
      3   0.521824D+01  0.237558D+01  0.318733D+01  0.305405D+01 -0.858200D+01
      4  -0.143028D+02 -0.816496D+00  0.373462D+00  0.173723D+02  0.291881D+01
      5   0.336441D+02  0.182777D+01  0.627539D+01 -0.113067D+00  0.191313D+01
      6   0.719274D+00  0.664722D+01 -0.479996D+01  0.144405D+01 -0.194295D+01
               111           112           113           114           115 
      1   0.611001D+01 -0.251260D+02  0.431210D+01  0.124757D+01 -0.910375D+01
      2   0.393857D+00  0.239240D+02 -0.755430D+01 -0.143352D+01  0.108701D+02
      3  -0.650387D+01  0.120192D+01  0.324220D+01  0.185950D+00 -0.176634D+01
      4   0.391967D+01  0.399290D+01  0.101475D+02  0.108703D+02 -0.247575D+00
      5   0.501259D+01 -0.555970D+01  0.909928D+01 -0.106999D+02  0.184990D+02
      6  -0.634165D+01  0.817255D+01 -0.703313D+01  0.494245D+01 -0.591760D+01
               116           117           118           119           120 
      1   0.570057D+01  0.193539D+01  0.959483D+01 -0.116850D+02  0.162632D+00
      2  -0.960901D+01 -0.823040D+01 -0.669291D+01  0.922829D+01 -0.184966D+01
      3   0.390843D+01  0.629501D+01 -0.290192D+01  0.245676D+01  0.168702D+01
      4   0.979275D+01 -0.133313D+02 -0.968257D+01 -0.178417D+02 -0.449750D+01
      5  -0.135062D+02 -0.998115D+01  0.159161D+01 -0.326481D+01 -0.472964D+01
      6   0.116921D+02 -0.565447D+00 -0.261269D+01 -0.266976D+01  0.447561D+01
               121           122           123           124           125 
      1   0.235437D+01  0.791169D+01  0.582883D+01  0.271414D+01  0.362431D+01
      2  -0.886734D+01 -0.999914D+01 -0.743358D+01 -0.504169D+01 -0.102009D+02
      3   0.651297D+01  0.208745D+01  0.160475D+01  0.232755D+01  0.657655D+01
      4   0.113681D+02 -0.129188D+02 -0.228349D+01 -0.612731D+00 -0.416332D+01
      5  -0.773672D+00 -0.272477D+01 -0.128028D+01  0.147456D+01 -0.558768D+01
      6  -0.617801D+01 -0.108917D+02  0.215541D+01  0.174748D+01  0.107181D+02
               126           127           128           129           130 
      1  -0.150381D+02 -0.455038D+01  0.807260D+01  0.997482D+00  0.840038D+01
      2  -0.109190D+01  0.643442D+01 -0.111655D+02 -0.999890D+00 -0.109369D+02
      3   0.161300D+02 -0.188404D+01  0.309291D+01  0.240805D-02  0.253653D+01
      4  -0.686048D+01 -0.831756D+01  0.779727D+01  0.100627D+01  0.771960D+01
      5  -0.553032D+01 -0.638737D+00  0.123145D+01  0.126066D+01  0.129636D+01
      6   0.400604D+01  0.822244D+00 -0.124724D+01 -0.250959D+01 -0.219821D+01
               131           132           133           134           135 
      1  -0.220166D+02 -0.351191D+01  0.132343D+01 -0.371970D+01 -0.108049D+01
      2   0.294193D+02  0.277697D+01 -0.186523D+01  0.451107D+01  0.148404D+01
      3  -0.740262D+01  0.734938D+00  0.541791D+00 -0.791373D+00 -0.403549D+00
      4  -0.812711D+01 -0.970428D+00  0.997241D+00 -0.117964D+01 -0.173412D+01
      5  -0.131806D+01 -0.133493D+01  0.118202D+01 -0.692295D+00 -0.720673D+00
      6   0.465480D+01  0.572112D+01 -0.113274D+01  0.237640D+01  0.137214D+01
               136           137           138           139           140 
      1   0.643956D+01  0.486097D+01  0.113350D+01  0.181687D+00 -0.138975D+02
      2   0.239426D+01  0.472655D+01  0.173074D+00  0.100147D+02  0.337075D+02
      3  -0.883382D+01 -0.958752D+01 -0.130658D+01 -0.101964D+02 -0.198099D+02
      4   0.193690D+02  0.233636D+02  0.581164D+01  0.246175D+02  0.450054D+02
      5   0.522906D+01  0.579123D+01  0.559516D+01  0.607679D+01  0.101481D+02
      6   0.385166D+01  0.446038D+01  0.342376D+01  0.581377D+01  0.134933D+02
               141           142           143           144           145 
      1  -0.360028D+01  0.711889D+00 -0.278196D+01 -0.171833D+01  0.982580D+02
      2   0.513243D+01  0.182815D+01  0.721814D+01  0.254285D+01 -0.558136D+02
      3  -0.153215D+01 -0.254004D+01 -0.443618D+01 -0.824520D+00 -0.424444D+02
      4   0.103544D+02  0.712835D+01  0.124259D+02  0.437285D+01  0.916670D+01
      5   0.717629D+01  0.291023D+01  0.376000D+01  0.288879D+01  0.120718D+02
      6   0.978592D+01  0.251743D+01  0.543365D+01  0.388349D+01 -0.238109D+01
               146           147           148           149           150 
      1   0.637522D+01  0.764507D+01  0.460316D+01  0.902470D+01  0.191346D+01
      2  -0.311878D+01 -0.533739D+01 -0.206232D+01 -0.416033D+01 -0.165893D+01
      3  -0.325644D+01 -0.230768D+01 -0.254084D+01 -0.486437D+01 -0.254530D+00
      4   0.976287D+01  0.427751D+00  0.146637D+02  0.296436D+01  0.144948D+01
      5   0.505806D+00  0.116516D+02  0.378617D+01  0.168083D+01  0.130495D+01
      6   0.466726D+00  0.297963D+00  0.101034D+01 -0.136847D+00  0.159268D+01
               151           152           153           154           155 
      1   0.988035D+01  0.220446D+01  0.341772D+01  0.195496D+02 -0.119645D+02
      2  -0.564811D+01 -0.126021D+01 -0.226118D+01 -0.288826D+01 -0.215771D+01
      3  -0.423223D+01 -0.944255D+00 -0.115655D+01 -0.166613D+02  0.141222D+02
      4   0.413165D+01  0.161570D+01  0.825597D+00 -0.311368D+02  0.297574D+02
      5   0.348145D+01  0.540256D+00  0.197270D+01 -0.590002D+01  0.421358D+01
      6   0.118992D+00  0.713276D+00  0.512599D+00  0.207986D+01 -0.187259D+01
               156           157           158           159           160 
      1  -0.235933D+01 -0.826323D+01  0.142419D+01  0.447393D+00 -0.524801D+00
      2   0.783369D+00 -0.641871D+01  0.184517D+02  0.106362D+01 -0.150948D+01
      3   0.157596D+01  0.146819D+02 -0.198759D+02 -0.151101D+01  0.203428D+01
      4   0.416550D+01  0.325854D+02 -0.438073D+02 -0.760413D+01  0.552085D+01
      5   0.627240D+01  0.661833D+01 -0.798140D+01 -0.669215D+01  0.266141D+01
      6  -0.327658D+01 -0.412908D+01  0.600098D+01  0.654120D+01 -0.175736D+01
               161           162           163           164           165 
      1  -0.663568D+00 -0.219812D+00 -0.508155D+01 -0.827567D+01 -0.333417D+01
      2   0.351501D+01  0.103735D+01  0.605114D+01  0.952494D+01  0.219775D+01
      3  -0.285144D+01 -0.817542D+00 -0.969587D+00 -0.124927D+01  0.113641D+01
      4  -0.763810D+01 -0.316969D+01  0.427368D+01  0.705239D+01  0.163089D+01
      5  -0.239929D+01 -0.162934D+01  0.118684D+01  0.140963D+01  0.182097D+01
      6   0.274426D+01  0.206664D+01  0.296794D+01  0.452142D+01  0.306202D+01
               166           167           168           169           170 
      1  -0.786575D+01 -0.301260D+02 -0.926804D+01 -0.271890D+01 -0.880097D+01
      2   0.917964D+01  0.379910D+02  0.787125D+01  0.296472D+01  0.998604D+01
      3  -0.131390D+01 -0.786504D+01  0.139679D+01 -0.245822D+00 -0.118507D+01
      4   0.570411D+01  0.381630D+00 -0.435683D+00  0.192188D+01  0.548735D+00
      5   0.117581D+01 -0.543379D+00 -0.445986D-02  0.125479D+01  0.470484D+00
      6   0.359916D+01  0.138638D+02  0.978559D+01  0.148871D+01  0.591052D+01
               171 
      1  -0.414015D+01
      2   0.372423D+01
      3   0.415919D+00
      4   0.148502D+01
      5   0.830414D+00
      6   0.442281D+01
 Leave Link  716 at Mon Aug 16 21:45:24 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131739D+03  0.110988D+01  0.134212D+01
      2   0.110988D+01  0.106455D+03  0.638054D+01
      3   0.134212D+01  0.638054D+01  0.741862D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.125874D+01  0.344957D+01  0.694192D+01
      2   0.677378D+01  0.138597D+02 -0.191044D+01
      3  -0.666470D+01 -0.404956D+02 -0.130666D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.831109D+02  0.102176D+02  0.246233D+01
      2  -0.317606D+02 -0.150061D+02 -0.161103D+02
      3  -0.513503D+02  0.478852D+01  0.136480D+02
      4  -0.193435D+02  0.740275D+02  0.336493D+02
      5   0.307771D+02  0.350892D+02 -0.106510D+02
      6   0.129701D+02  0.102626D+02 -0.165429D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.708747D+01  0.463104D+00 -0.168688D+00  0.169807D+01 -0.200808D+01
      2   0.463104D+00  0.749597D+00  0.456284D+00 -0.200808D+01  0.298923D+01
      3  -0.168688D+00  0.456284D+00  0.414181D+00  0.124943D+01 -0.243728D+01
                 6             7             8             9            10 
      1   0.124943D+01 -0.143746D+00  0.906773D+00 -0.135282D+01  0.553329D+01
      2  -0.243728D+01  0.906773D+00 -0.586587D+00  0.110798D+01  0.150922D+01
      3   0.969315D+00 -0.135282D+01  0.110798D+01 -0.160211D+01 -0.826127D+00
                11            12            13            14            15 
      1   0.150922D+01 -0.826127D+00  0.457250D+01  0.353742D+01 -0.180408D+01
      2   0.123543D+01 -0.120873D+01  0.353742D+01  0.174375D+01  0.369183D+01
      3  -0.120873D+01  0.200102D+01 -0.180408D+01  0.369183D+01  0.336081D+01
                16            17            18            19            20 
      1  -0.465062D+01 -0.167357D+01  0.420200D+01 -0.115785D+02  0.196205D+01
      2  -0.167357D+01  0.200942D+01  0.385416D+01  0.196205D+01 -0.171841D+01
      3   0.420200D+01  0.385416D+01  0.635129D+00 -0.994369D+00  0.421212D+00
                21            22            23            24            25 
      1  -0.994369D+00  0.679959D+00 -0.871112D+00 -0.144319D-01  0.395433D+00
      2   0.421212D+00 -0.871112D+00  0.652783D+00  0.160866D-03 -0.127583D+00
      3  -0.148386D+01 -0.144319D-01  0.160866D-03  0.157441D+00 -0.666211D+00
                26            27            28            29            30 
      1  -0.127583D+00 -0.666211D+00 -0.878515D+00 -0.119342D+01 -0.101157D+01
      2   0.140954D+00  0.319216D+00 -0.119342D+01 -0.944657D+00 -0.363998D+00
      3   0.319216D+00 -0.427146D+00 -0.101157D+01 -0.363998D+00 -0.123060D+01
                31            32            33            34            35 
      1  -0.339560D+01 -0.173750D+01 -0.710469D+00 -0.198046D+01 -0.733110D+00
      2  -0.173750D+01 -0.407574D+01 -0.248177D+01 -0.733110D+00 -0.266157D+01
      3  -0.710469D+00 -0.248177D+01 -0.286098D+01 -0.186144D+01 -0.265577D+01
                36            37            38            39            40 
      1  -0.186144D+01  0.941610D+01  0.153856D+01  0.604949D+00 -0.120186D+00
      2  -0.265577D+01  0.153856D+01 -0.223077D+01  0.877348D+00 -0.251920D+01
      3  -0.425311D+01  0.604949D+00  0.877348D+00 -0.219016D+01  0.172184D+01
                41            42            43            44            45 
      1  -0.251920D+01  0.172184D+01  0.558535D+01  0.206722D+01 -0.344518D+01
      2   0.237701D+01 -0.303946D+01  0.206722D+01 -0.190119D+01 -0.304642D+01
      3  -0.303946D+01 -0.291633D+01 -0.344518D+01 -0.304642D+01 -0.491620D+00
                46            47            48            49            50 
      1  -0.185544D+02 -0.293788D+01  0.187731D+00 -0.370834D+01  0.913729D+00
      2  -0.293788D+01 -0.285458D+01  0.137525D-01  0.913729D+00 -0.122092D+00
      3   0.187731D+00  0.137525D-01 -0.186313D+01  0.137861D+01 -0.340942D+00
                51            52            53            54            55 
      1   0.137861D+01 -0.383873D+00  0.129876D+01 -0.382384D+01  0.260804D+00
      2  -0.340942D+00  0.129876D+01 -0.441934D+00 -0.707661D+00 -0.948757D+00
      3  -0.238231D+00 -0.382384D+01 -0.707661D+00 -0.114187D+01  0.173572D+00
                56            57            58            59            60 
      1  -0.948757D+00  0.173572D+00 -0.192553D+01  0.533890D+00 -0.864021D-01
      2   0.163280D+01 -0.763787D+00  0.533890D+00 -0.608241D+01  0.237871D+01
      3  -0.763787D+00  0.110546D+01 -0.864021D-01  0.237871D+01 -0.207712D+01
                61            62            63            64            65 
      1   0.138748D+00 -0.343631D+00  0.308351D+00 -0.138290D+02 -0.217837D+01
      2  -0.343631D+00  0.161726D+01 -0.124612D+01 -0.217837D+01 -0.144308D+01
      3   0.308351D+00 -0.124612D+01  0.164848D+01  0.118364D+01  0.364153D+00
                66            67            68            69            70 
      1   0.118364D+01 -0.160379D+01 -0.140620D+01  0.155276D-01 -0.161544D+01
      2   0.364153D+00 -0.140620D+01 -0.101413D+01  0.464354D+00 -0.315009D+00
      3  -0.156814D+01  0.155276D-01  0.464354D+00 -0.553784D-01 -0.836783D+00
                71            72            73            74            75 
      1  -0.315009D+00 -0.836783D+00 -0.245761D+00  0.406976D+00  0.412227D+00
      2  -0.171119D+00  0.937997D-01  0.406976D+00  0.482742D+00 -0.125817D-02
      3   0.937997D-01 -0.708563D-01  0.412227D+00 -0.125817D-02  0.107550D+01
                76            77            78            79            80 
      1   0.163628D+01  0.100672D+00 -0.720646D+00  0.108054D+01 -0.118664D+00
      2   0.100672D+00  0.200171D+01  0.189957D+01 -0.118664D+00  0.189904D+01
      3  -0.720646D+00  0.189957D+01  0.342634D+01 -0.310850D+00  0.158808D+01
                81            82            83            84            85 
      1  -0.310850D+00  0.362035D+01 -0.713213D+00  0.137037D+00  0.817839D+01
      2   0.158808D+01 -0.713213D+00 -0.331207D+01 -0.793838D+00  0.377945D+00
      3   0.499958D+01  0.137037D+00 -0.793838D+00 -0.200807D+01  0.225590D+00
                86            87            88            89            90 
      1   0.377945D+00  0.225590D+00  0.287221D+01 -0.234787D+00 -0.189242D+01
      2   0.174083D+01 -0.738157D+00 -0.234787D+00 -0.175062D+01  0.305336D+01
      3  -0.738157D+00  0.141870D+01 -0.189242D+01  0.305336D+01  0.124281D+01
                91            92            93            94            95 
      1  -0.360057D+01 -0.400214D+00 -0.265638D+00  0.488940D+01  0.279601D+00
      2  -0.400214D+00  0.283072D+01 -0.278409D+00  0.279601D+00  0.128278D+01
      3  -0.265638D+00 -0.278409D+00  0.743576D+00 -0.422001D+00 -0.113924D+01
                96            97            98            99           100 
      1  -0.422001D+00  0.561284D+00 -0.945517D+00  0.197418D+01  0.574104D+01
      2  -0.113924D+01 -0.945517D+00 -0.131797D+01  0.358688D+01  0.462998D+00
      3   0.181932D+01  0.197418D+01  0.358688D+01  0.281889D+01 -0.635536D+00
               101           102           103           104           105 
      1   0.462998D+00 -0.635536D+00  0.132052D+01 -0.401125D+00 -0.140618D+01
      2   0.323649D+01  0.658255D-01 -0.401125D+00  0.328272D+00 -0.614393D+00
      3   0.658255D-01  0.285808D+01 -0.140618D+01 -0.614393D+00 -0.105905D+00
               106           107           108           109           110 
      1  -0.965599D-01 -0.139893D+01  0.517818D+01 -0.274708D+01 -0.700497D+00
      2  -0.139893D+01  0.238494D+00  0.284915D+00 -0.700497D+00  0.249463D+01
      3   0.517818D+01  0.284915D+00  0.121250D+01 -0.482018D+00  0.957216D+00
               111           112           113           114           115 
      1  -0.482018D+00 -0.579140D+01 -0.734365D+00 -0.104445D+01 -0.201709D+01
      2   0.957216D+00 -0.734365D+00 -0.117530D+01  0.138899D+01 -0.631103D+00
      3   0.185429D+01 -0.104445D+01  0.138899D+01 -0.178533D+01  0.288452D+01
               116           117           118           119           120 
      1  -0.631103D+00  0.288452D+01  0.472337D+01  0.243827D+01  0.703833D+00
      2   0.191215D+01 -0.300048D+01  0.243827D+01 -0.259623D+01 -0.315190D-01
      3  -0.300048D+01 -0.164789D+01  0.703833D+00 -0.315190D-01 -0.121264D+01
               121           122           123           124           125 
      1  -0.674028D+01 -0.798916D+00  0.381930D+00 -0.601147D+00  0.117360D+01
      2  -0.798916D+00 -0.173207D+01  0.116461D+01  0.117360D+01  0.112922D+01
      3   0.381930D+00  0.116461D+01 -0.113773D+01 -0.726027D+00 -0.303976D+01
               126           127           128           129           130 
      1  -0.726027D+00 -0.318561D+01  0.214842D+01  0.168115D+00  0.238871D+01
      2  -0.303976D+01  0.214842D+01 -0.279583D+01 -0.299283D+00 -0.274005D+01
      3  -0.289073D+01  0.168115D+00 -0.299283D+00 -0.429351D+00 -0.496137D+00
               131           132           133           134           135 
      1  -0.274005D+01 -0.496137D+00  0.664393D-01 -0.366390D+00 -0.825488D-01
      2   0.618816D+01  0.823151D+00 -0.366390D+00  0.112416D+01  0.260807D+00
      3   0.823151D+00  0.976965D+00 -0.825488D-01  0.260807D+00  0.186107D+00
               136           137           138           139           140 
      1   0.243291D+01  0.264303D+01  0.784048D+00  0.246076D+01  0.371083D+01
      2   0.264303D+01  0.291843D+01  0.777680D+00  0.371083D+01  0.883188D+01
      3   0.784048D+00  0.777680D+00  0.644305D+00  0.970775D+00  0.210441D+01
               141           142           143           144           145 
      1   0.970775D+00  0.802447D+00  0.113750D+01  0.354058D+00  0.130232D+02
      2   0.210441D+01  0.113750D+01  0.232791D+01  0.605667D+00  0.900115D+00
      3   0.149113D+01  0.354058D+00  0.605667D+00  0.415513D+00  0.121675D+01
               146           147           148           149           150 
      1   0.900115D+00  0.121675D+01  0.785063D+00  0.156259D+01  0.463730D+00
      2   0.926756D+00  0.549952D-01  0.156259D+01  0.352380D+00  0.172021D+00
      3   0.549952D-01  0.111871D+01  0.463730D+00  0.172021D+00  0.149768D+00
               151           152           153           154           155 
      1   0.134532D+01  0.468394D+00  0.127141D+00  0.452241D+01 -0.364344D+01
      2   0.468394D+00  0.135461D+00  0.268364D-01 -0.364344D+01  0.351956D+01
      3   0.127141D+00  0.268364D-01  0.175420D+00 -0.616882D+00  0.477855D+00
               156           157           158           159           160 
      1  -0.616882D+00 -0.362118D+01  0.430511D+01  0.903445D+00 -0.539072D+00
      2   0.477855D+00  0.430511D+01 -0.668765D+01 -0.118265D+01  0.699166D+00
      3   0.674838D+00  0.903445D+00 -0.118265D+01 -0.105219D+01  0.183664D+00
               161           162           163           164           165 
      1   0.699166D+00  0.183664D+00 -0.174154D+01 -0.175695D+01 -0.571071D+00
      2  -0.140211D+01 -0.314893D+00 -0.175695D+01 -0.213152D+01 -0.725495D+00
      3  -0.314893D+00 -0.243467D+00 -0.571071D+00 -0.725495D+00 -0.503993D+00
               166           167           168           169           170 
      1  -0.170334D+01 -0.210523D+01 -0.606067D+00 -0.819774D+00 -0.863131D+00
      2  -0.210523D+01 -0.759941D+01 -0.211391D+01 -0.863131D+00 -0.230097D+01
      3  -0.606067D+00 -0.211391D+01 -0.154060D+01 -0.213960D+00 -0.770599D+00
               171 
      1  -0.213960D+00
      2  -0.770599D+00
      3  -0.565630D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.424530D+00  0.672508D+00  0.881072D+00 -0.183468D+00 -0.372951D+01
      2   0.611230D+01 -0.876397D+00  0.142098D+01  0.264327D+00  0.337783D+01
      3   0.147090D+02 -0.412643D+01  0.175133D+01  0.278304D+01  0.102037D+02
                 6             7             8             9            10 
      1  -0.480760D+01 -0.224667D+01  0.426404D+01  0.667910D+00 -0.163459D+01
      2  -0.366284D+01 -0.272643D+01 -0.307719D+00  0.317871D+01  0.250244D+01
      3  -0.496432D+01  0.664558D+00 -0.167202D+01  0.260082D+01  0.170666D+01
                11            12            13            14            15 
      1  -0.411918D+00 -0.384622D+00  0.137982D+01  0.259856D+01  0.188891D+01
      2   0.173237D+01 -0.253971D+01  0.308331D+01 -0.603328D+01 -0.457183D+01
      3   0.112159D+01 -0.235798D+00  0.104892D+02 -0.270546D+01  0.789119D+01
                16            17            18            19            20 
      1   0.482927D+01  0.475938D+01 -0.180077D+01 -0.596752D+00  0.871608D+00
      2  -0.142062D+02 -0.899664D+01 -0.110197D+01 -0.623039D+01  0.283807D+00
      3  -0.108845D+01  0.714498D+01  0.590930D+01 -0.915619D+01 -0.446509D+01
                21            22            23            24            25 
      1   0.111812D+01  0.403733D+00 -0.189600D+00 -0.519909D+00  0.384418D+00
      2   0.568890D+01 -0.421047D-01 -0.988339D+00  0.259220D+00  0.843591D+00
      3   0.714455D-01 -0.880899D+00  0.319570D+00  0.489383D+00  0.212342D+00
                26            27            28            29            30 
      1   0.175006D+00 -0.386737D+00 -0.955379D+00  0.164019D+00 -0.104810D+01
      2  -0.396561D+00  0.753920D-01  0.127057D+01  0.449100D+00  0.266280D+01
      3   0.548440D+00 -0.190540D+00 -0.252149D+01 -0.287301D+01 -0.223036D+00
                31            32            33            34            35 
      1  -0.232941D+00  0.121295D+01 -0.287032D+01 -0.133326D+01  0.127372D+01
      2  -0.825240D+00  0.412154D+01  0.520792D+01 -0.604751D-01  0.400298D+01
      3   0.900593D+00 -0.739227D+01 -0.494267D+01  0.109045D+01 -0.534538D+01
                36            37            38            39            40 
      1  -0.252457D+01  0.382652D+01 -0.315153D+01 -0.148108D+01 -0.457126D+00
      2   0.677893D+01 -0.127521D+02 -0.460324D+01  0.860007D+01 -0.641253D+01
      3  -0.440997D+01 -0.316797D+01 -0.110680D+02  0.923139D+00 -0.483522D+01
                41            42            43            44            45 
      1   0.227181D+01 -0.103690D+02 -0.194396D+01 -0.523392D+01 -0.296496D+01
      2   0.108116D+02  0.583411D+01  0.544681D+01  0.688465D+01  0.459498D+01
      3   0.109313D+02 -0.110957D+02  0.137021D+01 -0.990359D+01 -0.532434D+01
                46            47            48            49            50 
      1  -0.495115D+00 -0.388031D+00 -0.267108D+00 -0.237114D+01 -0.366360D+01
      2  -0.272837D+01 -0.147308D+01 -0.154937D+01 -0.143807D+01  0.516863D+00
      3  -0.336910D+01  0.643403D+01  0.115836D+01  0.164193D+02  0.183420D+01
                51            52            53            54            55 
      1   0.990243D+00  0.818811D-01  0.993982D+01  0.263371D+01 -0.160018D+01
      2   0.862200D+00 -0.133266D+02  0.716455D+00  0.257829D+00 -0.207884D+01
      3  -0.140681D+01  0.393178D+00  0.706694D+00 -0.445165D+00 -0.487593D+01
                56            57            58            59            60 
      1   0.202165D+01  0.117038D+01  0.134279D+01 -0.582245D+01 -0.112492D+01
      2   0.255227D+01 -0.207410D+01  0.323787D+01 -0.723613D+01  0.488757D+01
      3   0.501569D+01 -0.154935D+01  0.679347D+01 -0.158452D+02  0.617019D+01
                61            62            63            64            65 
      1   0.547747D+00  0.234254D+01  0.406893D+00 -0.624057D+00 -0.165003D+01
      2  -0.227085D+01  0.312797D+01 -0.381351D+01  0.961676D+01  0.776961D+00
      3  -0.757477D+00  0.443120D+01 -0.374048D+01  0.599215D+01 -0.598938D+01
                66            67            68            69            70 
      1  -0.169714D+01 -0.115860D+01 -0.592858D+00 -0.278110D+00 -0.111846D+01
      2   0.712219D+01  0.166626D+01 -0.428827D+00  0.394358D+00  0.141175D+01
      3   0.307298D+00 -0.113300D+01 -0.214957D+01  0.139360D+01 -0.891614D-02
                71            72            73            74            75 
      1   0.104770D+01 -0.924313D-01  0.132566D+01  0.146463D+01  0.591557D+00
      2  -0.364292D+00  0.717919D+00 -0.177228D+01 -0.848548D+00 -0.234740D+01
      3   0.458866D+00  0.142822D+01  0.177196D+01  0.102929D+01 -0.942869D-01
                76            77            78            79            80 
      1   0.531172D+00  0.540778D+01  0.364597D+01 -0.227496D+00  0.614415D+01
      2  -0.146668D+01 -0.548782D+01 -0.827748D+01 -0.286999D+01 -0.448347D+01
      3   0.161203D+01  0.546801D+01  0.539783D+01 -0.595482D+00  0.533532D+01
                81            82            83            84            85 
      1   0.637712D+01 -0.491618D+00  0.976419D-01  0.293541D+01 -0.826313D+00
      2  -0.120203D+02  0.219705D+01  0.206945D+00 -0.132473D+01  0.404017D+01
      3   0.489797D+01  0.261195D+01  0.744022D-01  0.131188D+01  0.461499D+01
                86            87            88            89            90 
      1   0.408191D+00 -0.216949D+01  0.646063D+01  0.310557D+01  0.592984D-01
      2   0.121394D+01  0.563262D+00 -0.119841D+02 -0.449434D+00  0.515573D-01
      3  -0.670663D+01  0.710722D+00 -0.696410D+00 -0.482931D+00 -0.509572D+01
                91            92            93            94            95 
      1   0.814252D+00  0.774270D+00 -0.151542D+01  0.154834D+01 -0.526394D-01
      2  -0.354061D+00  0.243723D+01  0.834392D-01  0.147396D+01 -0.344151D+01
      3  -0.242664D+00 -0.109613D+02 -0.262509D+01  0.414964D+01 -0.167496D+01
                96            97            98            99           100 
      1  -0.313138D+01 -0.505642D+01  0.125265D+01 -0.134650D+01  0.211582D+00
      2   0.497586D+01 -0.796016D+01  0.864450D+01  0.455087D+01  0.457816D-01
      3   0.208953D+01 -0.491540D+00  0.248894D+01 -0.456050D+01 -0.112392D+01
               101           102           103           104           105 
      1  -0.797356D+00 -0.104162D+01 -0.106357D+01 -0.329385D+01  0.234110D+01
      2  -0.382664D+00  0.791060D+01 -0.479426D+01 -0.183777D+00  0.193632D+00
      3  -0.736630D+01  0.234307D+00  0.108056D+02  0.515162D+00  0.167835D+01
               106           107           108           109           110 
      1  -0.183038D+01  0.107839D+02  0.319644D+01 -0.757096D+00 -0.100368D+01
      2   0.744524D+01  0.137764D+01  0.285040D+01 -0.110234D+01  0.243264D+01
      3   0.456112D+01  0.137805D+01  0.420170D+00  0.115500D+01 -0.113940D+02
               111           112           113           114           115 
      1   0.263972D+01 -0.173452D+01  0.150010D-01 -0.235939D+01  0.688141D+01
      2   0.253969D+01 -0.108134D+01  0.385215D+01 -0.529001D+01 -0.441048D+01
      3  -0.251085D+01  0.592998D+01  0.615896D+00 -0.253206D+01 -0.470105D+00
               116           117           118           119           120 
      1   0.318769D+01  0.134909D+01  0.389670D-01  0.183095D+01 -0.226275D+01
      2  -0.943610D+01 -0.470782D+01  0.393019D+01  0.175501D+01 -0.951597D+00
      3  -0.450708D+01  0.343683D+01 -0.171370D+01 -0.187819D+01 -0.238982D+01
               121           122           123           124           125 
      1   0.143993D+01  0.468774D+00 -0.249773D+01 -0.509745D+01  0.152718D+01
      2   0.181672D+01 -0.103964D+01 -0.128189D+01 -0.134054D+02 -0.128571D+01
      3   0.190756D+01  0.714372D+01  0.113672D+00 -0.372786D+01 -0.597063D+00
               126           127           128           129           130 
      1  -0.450121D+00  0.410478D+00 -0.681113D+00  0.209297D+01  0.163058D+00
      2  -0.282099D+01  0.169967D+01 -0.708257D+00  0.351001D+00 -0.729246D+00
      3   0.512189D+01 -0.908692D+01  0.342209D+01  0.785691D-01  0.693803D+01
               131           132           133           134           135 
      1  -0.540186D-01 -0.336899D+01 -0.122985D+00  0.183827D+01 -0.678081D-01
      2   0.121404D+01 -0.927771D+00 -0.157267D+01  0.590135D+00 -0.269339D+00
      3  -0.513109D+01 -0.117518D+01 -0.227077D+00 -0.731041D+00 -0.250757D+00
               136           137           138           139           140 
      1  -0.230484D+00  0.102351D+00 -0.187280D+01 -0.191938D+00  0.597400D+00
      2   0.439269D+00  0.811527D+00  0.197303D+01  0.624356D+00  0.311301D+01
      3  -0.811517D+00 -0.293391D+01 -0.560956D+00 -0.117843D+01 -0.128379D+02
               141           142           143           144           145 
      1  -0.445532D+01  0.569828D+00  0.206870D+01 -0.706537D+00 -0.122097D+00
      2   0.379081D+01 -0.549914D+00  0.263616D+00  0.919753D+00  0.163965D+01
      3  -0.275141D+01 -0.472565D+00 -0.341770D+01 -0.699656D+00 -0.206961D+00
               146           147           148           149           150 
      1   0.467496D+00 -0.485860D+00  0.962062D-01 -0.593385D-02 -0.391753D+00
      2  -0.898664D-01  0.669834D+01  0.169254D+01  0.370155D+00  0.738161D+00
      3  -0.559694D+01  0.171538D+00 -0.348665D+01 -0.857456D+00 -0.373372D+00
               151           152           153           154           155 
      1   0.241892D+00  0.591330D+00 -0.630118D-05  0.243110D+00 -0.719722D+00
      2  -0.265389D+01 -0.896714D-01  0.602248D+00  0.157578D+00 -0.103072D+00
      3  -0.133168D+01 -0.773143D+00 -0.137160D+00  0.146630D+01 -0.501791D+01
               156           157           158           159           160 
      1   0.227184D+01  0.296831D+00  0.303346D+00 -0.356527D+01 -0.896237D+00
      2   0.281735D+01  0.754234D+00 -0.148417D+01 -0.362993D+01 -0.724495D+00
      3  -0.224841D+00 -0.295489D+01  0.110300D+02  0.144041D+01 -0.105248D+01
               161           162           163           164           165 
      1   0.168592D+01 -0.431420D+00  0.212268D+00  0.336251D+00 -0.164457D+01
      2   0.429565D+00 -0.556828D+00 -0.192166D+01 -0.116235D+01  0.111484D-01
      3   0.253356D+01  0.400843D+00  0.630796D+01  0.334500D+01  0.121683D+01
               166           167           168           169           170 
      1   0.346508D+00  0.930295D+00 -0.404964D+01  0.431666D+00  0.247468D+01
      2  -0.186426D+01 -0.226762D+01 -0.653450D-01 -0.229611D+01 -0.782708D+00
      3   0.699603D+01  0.779374D+01  0.253708D+01  0.262819D+01  0.240389D+01
               171 
      1  -0.729257D+00
      2   0.417551D-01
      3   0.638244D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.341873D+02  0.246535D+01  0.517625D+00 -0.675713D+01 -0.645744D+01
      2   0.186991D+02 -0.347183D+01 -0.145041D+01  0.123961D+01  0.136677D+02
      3   0.154883D+02  0.100648D+01  0.932785D+00  0.551752D+01 -0.721026D+01
      4   0.567060D+01  0.440764D+01 -0.194226D+01  0.180078D+02 -0.193484D+02
      5  -0.540500D+01 -0.202174D+01  0.620142D+01 -0.970841D+01  0.110642D+02
      6  -0.184786D+01 -0.175971D+00 -0.235616D+01  0.415293D+01 -0.596294D+01
                 6             7             8             9            10 
      1   0.123915D+01  0.130939D+01  0.273434D+01 -0.315983D+01  0.956231D+01
      2   0.214174D+01 -0.146861D+01 -0.230026D+01 -0.536851D+01 -0.205630D+01
      3  -0.338089D+01  0.159222D+00 -0.434078D+00  0.852834D+01 -0.750601D+01
      4   0.116907D+02 -0.676784D+01  0.437878D+01 -0.538915D+01 -0.410117D+01
      5  -0.794129D+01  0.124658D+02 -0.583270D+01  0.936766D+01  0.491021D+01
      6   0.127021D+02 -0.168626D+01  0.749619D+01 -0.664086D+01  0.238398D+01
                11            12            13            14            15 
      1   0.103874D+01 -0.188027D+01  0.417236D+01  0.304340D+00  0.576730D+01
      2   0.121537D+01 -0.197033D+00  0.181166D+01 -0.461149D+00 -0.115642D+02
      3  -0.225411D+01  0.207730D+01 -0.598403D+01  0.156809D+00  0.579685D+01
      4  -0.117128D+02  0.354076D+01 -0.213058D+02 -0.530098D+01 -0.173319D+02
      5   0.427183D+01 -0.145569D+02  0.131025D+02 -0.164207D+02 -0.121093D+02
      6   0.892674D+00 -0.950495D+00 -0.504987D+01 -0.596292D+01 -0.146598D+02
                16            17            18            19            20 
      1   0.113598D+02  0.732956D+01 -0.154533D+01  0.631158D+02 -0.904103D+01
      2  -0.922265D+01 -0.288622D+01  0.431664D+01 -0.331250D+02  0.356342D+01
      3  -0.213710D+01 -0.444334D+01 -0.277131D+01 -0.299907D+02  0.547762D+01
      4   0.126711D+02 -0.102224D+02 -0.198650D+02 -0.225458D+02  0.118858D+02
      5  -0.249796D+02 -0.184057D+02 -0.163420D+01  0.143266D+02 -0.317418D+01
      6  -0.112827D+02 -0.111006D+02 -0.529749D+00 -0.220562D+01  0.137310D+01
                21            22            23            24            25 
      1   0.397322D+01 -0.288650D+00  0.343064D+01  0.446793D-01 -0.926413D+00
      2  -0.356997D+01 -0.126591D+01 -0.420915D+00 -0.642313D-01 -0.179415D-01
      3  -0.403251D+00  0.155456D+01 -0.300972D+01  0.195520D-01  0.944354D+00
      4  -0.266858D+01  0.775937D+01 -0.367623D+01  0.285686D+00  0.108877D+01
      5   0.958336D+01 -0.226483D-01  0.766296D+00 -0.448828D+00  0.579434D+01
      6  -0.218634D+01  0.148689D+01 -0.207357D+00  0.164344D+01 -0.108961D+01
                26            27            28            29            30 
      1   0.822927D+00  0.237038D+01  0.319424D+01  0.220381D+01  0.303978D+01
      2   0.174565D+00 -0.230186D+01 -0.189105D+01 -0.938381D+00 -0.149063D+01
      3  -0.997491D+00 -0.685235D-01 -0.130318D+01 -0.126543D+01 -0.154915D+01
      4  -0.479530D+00 -0.179532D+01  0.749750D+01  0.917131D+01  0.373768D+01
      5  -0.159997D+01  0.240184D+01  0.597228D+01  0.370817D+01  0.983446D+01
      6   0.105590D+01 -0.303284D+00  0.449192D+01  0.169328D+01  0.244528D+01
                31            32            33            34            35 
      1   0.238710D+01 -0.740669D+01 -0.563953D+01  0.176470D+01 -0.634923D+01
      2  -0.100005D+01  0.810010D+01  0.395099D+01 -0.197836D+01  0.185937D+01
      3  -0.138705D+01 -0.693402D+00  0.168853D+01  0.213654D+00  0.448986D+01
      4   0.114014D+02  0.187260D+02  0.111306D+02  0.525030D+01  0.121486D+02
      5   0.503113D+01  0.105667D+02  0.124813D+02  0.125500D+02  0.113678D+02
      6   0.407996D+01  0.129857D+02  0.124499D+02  0.536785D+01  0.123063D+02
                36            37            38            39            40 
      1  -0.837533D+01 -0.582617D+02 -0.159545D+02  0.563047D+01 -0.141443D+02
      2  -0.321363D+01  0.232157D+02  0.119264D+02  0.740532D+00  0.775988D+01
      3   0.115890D+02  0.350460D+02  0.402806D+01 -0.637100D+01  0.638446D+01
      4   0.121816D+02 -0.196568D+02  0.887270D+01 -0.288821D+01  0.110868D+02
      5   0.175926D+02  0.747913D+01 -0.570617D+00  0.119640D+02 -0.618662D+01
      6   0.135137D+02  0.101496D+01 -0.713139D+01  0.437484D+01 -0.492271D+01
                41            42            43            44            45 
      1   0.213238D+02 -0.188631D+01 -0.519723D+01 -0.286731D+01  0.104596D+02
      2  -0.135349D+02  0.153878D+02  0.830121D+01  0.121705D+02 -0.425038D+01
      3  -0.778887D+01 -0.135015D+02 -0.310398D+01 -0.930317D+01 -0.620923D+01
      4  -0.598671D+01  0.128355D+02 -0.118577D+02  0.856530D+01  0.182079D+02
      5   0.847111D+01  0.142871D+02  0.221523D+02  0.162221D+02 -0.316284D+01
      6   0.663532D+01 -0.447934D+01  0.911859D+01 -0.360754D+00 -0.966793D+01
                46            47            48            49            50 
      1  -0.166920D+02 -0.684844D+00 -0.221986D+01  0.245271D+01 -0.665257D+01
      2   0.465914D+01  0.214358D+00 -0.364105D+00 -0.392424D+01  0.113296D+02
      3   0.120328D+02  0.470487D+00  0.258396D+01  0.147153D+01 -0.467704D+01
      4   0.109553D+02  0.369453D+01  0.100572D+00 -0.697784D+01 -0.317787D+01
      5  -0.728120D+01 -0.652409D+00 -0.518106D+00 -0.496568D+01  0.137449D+01
      6  -0.323554D+01  0.603000D+00  0.506995D+00 -0.238296D+01  0.480118D+01
                51            52            53            54            55 
      1  -0.553178D+00 -0.817578D+01 -0.200393D+01 -0.846307D+01 -0.877451D+00
      2   0.627638D+01  0.354059D+00  0.318726D+01 -0.247664D+01  0.275699D+01
      3  -0.572320D+01  0.782172D+01 -0.118333D+01  0.109397D+02 -0.187954D+01
      4   0.956724D+00 -0.556554D+01  0.330344D+00  0.282744D+01  0.146567D+01
      5   0.155496D+01  0.499344D+01  0.226769D+01 -0.587645D+00  0.982634D+00
      6  -0.754715D+00 -0.357045D+00  0.740181D+01 -0.267916D+01 -0.249107D+01
                56            57            58            59            60 
      1   0.973326D+01 -0.517795D+01  0.106054D+02 -0.231346D+02  0.976788D+01
      2  -0.858607D+01  0.162576D+01 -0.665660D+01  0.262940D+02 -0.628207D+01
      3  -0.114718D+01  0.355219D+01 -0.394881D+01 -0.315944D+01 -0.348581D+01
      4  -0.266653D+01  0.114905D+01  0.351264D+01  0.225708D+02 -0.902769D+01
      5  -0.391381D+00 -0.219375D+01 -0.417933D+01 -0.651851D+01  0.679054D+01
      6   0.559866D+01 -0.423816D+01  0.163254D+01 -0.183311D+02  0.121604D+02
                61            62            63            64            65 
      1  -0.234993D+01  0.710516D+01 -0.894097D+01  0.837542D+02  0.995633D+01
      2   0.653398D+00 -0.409261D+01  0.274566D+01 -0.409372D+02 -0.257894D+01
      3   0.169653D+01 -0.301256D+01  0.619531D+01 -0.428170D+02 -0.737739D+01
      4   0.665753D+00 -0.593523D+01  0.354912D+01  0.276972D+02  0.158081D+02
      5   0.147942D+01  0.337664D+01 -0.475457D+01 -0.224528D+02 -0.424044D+01
      6  -0.190684D+01  0.103624D+02 -0.653693D+01 -0.378399D+01 -0.318127D+01
                66            67            68            69            70 
      1  -0.253008D+01  0.683655D+01  0.493692D+01  0.439965D+00  0.756846D+01
      2   0.443445D+01 -0.126964D+01 -0.497010D+00 -0.101829D+01 -0.164775D+01
      3  -0.190436D+01 -0.556691D+01 -0.443991D+01  0.578323D+00 -0.592071D+01
      4  -0.277772D+01  0.142873D+02  0.759787D+01 -0.239312D+01  0.243140D+01
      5   0.140899D+02 -0.196417D+01 -0.321976D+01  0.926636D+00  0.872652D+01
      6   0.339926D+01 -0.208518D+01 -0.208485D+01  0.258153D+01  0.241110D+01
                71            72            73            74            75 
      1   0.677529D+00  0.512322D+01  0.361897D+01 -0.799959D+00 -0.572297D+01
      2  -0.542975D+00 -0.405841D+01 -0.300049D+01 -0.126971D+00  0.180361D+00
      3  -0.134554D+00 -0.106482D+01 -0.618480D+00  0.926930D+00  0.554261D+01
      4   0.107467D+01  0.812242D+00 -0.402283D+00 -0.129481D+01  0.109970D+00
      5   0.128732D+00 -0.473250D+00 -0.199541D+01  0.143755D+01 -0.524837D+00
      6   0.160279D+01  0.452527D+00  0.148654D+01  0.189316D+01 -0.276584D+00
                76            77            78            79            80 
      1  -0.504671D+01 -0.634111D+01 -0.573144D+01 -0.538476D+01 -0.363541D+01
      2   0.356334D+01 -0.368460D+00 -0.756001D+01  0.351827D+01 -0.606246D+01
      3   0.148337D+01  0.670957D+01  0.132915D+02  0.186649D+01  0.969787D+01
      4   0.564119D+00 -0.104254D+02 -0.943154D+01 -0.207023D+00 -0.957151D+01
      5   0.671901D+01 -0.761698D+01 -0.149008D+02  0.641087D+01 -0.680796D+01
      6  -0.726529D-01  0.687965D+01  0.679865D+01 -0.227094D+00  0.672304D+01
                81            82            83            84            85 
      1  -0.133222D+02  0.243485D+01  0.161951D+02  0.551091D+01 -0.482161D+01
      2  -0.121601D+02 -0.394018D+01 -0.111113D+02 -0.327376D+00  0.117676D+02
      3   0.254823D+02  0.150533D+01 -0.508386D+01 -0.518353D+01 -0.694599D+01
      4  -0.867950D+01  0.802412D+01 -0.116889D+02 -0.479252D+00  0.183308D+01
      5  -0.201199D+02  0.397877D+01 -0.122316D+01 -0.171079D+01  0.303674D+01
      6   0.438949D+01  0.241355D+01 -0.199059D+01 -0.567621D+01  0.752876D+01
                86            87            88            89            90 
      1   0.930025D+00  0.412271D+01 -0.115007D+01  0.620793D+01 -0.138006D+02
      2  -0.387454D+01 -0.320621D+01  0.602926D+01 -0.835990D+01  0.176561D+01
      3   0.294452D+01 -0.916501D+00 -0.487919D+01  0.215197D+01  0.120350D+02
      4   0.141805D+02  0.275860D+01  0.248072D+01  0.178901D+00  0.337398D+01
      5   0.242186D+01  0.315034D+00  0.447638D+01  0.281176D+01 -0.114793D+01
      6  -0.534915D+01  0.481749D+01 -0.182828D+01  0.117809D+02 -0.665161D-01
                91            92            93            94            95 
      1   0.650633D+01 -0.210419D+02 -0.273498D+01  0.217920D+02  0.110909D+02
      2  -0.504554D+01  0.139526D+02  0.877795D+00 -0.196936D+02 -0.133690D+02
      3  -0.146079D+01  0.708935D+01  0.185719D+01 -0.209841D+01  0.227816D+01
      4  -0.124729D+02 -0.556527D+01 -0.444205D+01  0.950483D+01 -0.270190D+01
      5  -0.625884D+01 -0.278166D+01 -0.277110D+01  0.315506D+00 -0.754879D+01
      6  -0.511222D+01 -0.180799D+01  0.363989D+01 -0.587611D+01 -0.114938D+02
                96            97            98            99           100 
      1   0.334507D+01  0.459079D+01 -0.803874D+00 -0.578979D+01 -0.114205D+02
      2  -0.722838D+01 -0.838187D+01 -0.822010D+01 -0.564338D+01  0.710238D+01
      3   0.388331D+01  0.379107D+01  0.902398D+01  0.114332D+02  0.431809D+01
      4  -0.713966D+01 -0.472673D+01 -0.110535D+02  0.128153D+02 -0.206628D+01
      5   0.101893D+02  0.125623D+02  0.131685D+02  0.975450D+01 -0.634177D+01
      6   0.433831D+01  0.480601D+01  0.129521D+02  0.355094D+01  0.713382D+00
               101           102           103           104           105 
      1  -0.218456D+01 -0.697160D+01  0.778771D+01 -0.196270D+02 -0.822702D+01
      2   0.179210D+01  0.328478D+01 -0.568535D+01  0.172195D+02  0.113555D+02
      3   0.392464D+00  0.368682D+01 -0.210236D+01  0.240745D+01 -0.312852D+01
      4   0.227330D+02  0.476347D+00 -0.185856D+02 -0.499343D+01 -0.437210D+01
      5   0.218548D+00  0.179049D+02 -0.137981D+02 -0.170054D+01  0.385877D+00
      6   0.517366D+00  0.218615D+01 -0.323998D+01  0.451961D+01 -0.393624D+01
               106           107           108           109           110 
      1  -0.658602D+01 -0.903453D+01  0.128302D+02  0.694887D+00  0.222105D+02
      2   0.136778D+01  0.665896D+01 -0.160175D+02 -0.374894D+01 -0.136285D+02
      3   0.521824D+01  0.237558D+01  0.318733D+01  0.305405D+01 -0.858200D+01
      4  -0.143028D+02 -0.816496D+00  0.373462D+00  0.173723D+02  0.291881D+01
      5   0.336441D+02  0.182777D+01  0.627539D+01 -0.113067D+00  0.191313D+01
      6   0.719274D+00  0.664722D+01 -0.479996D+01  0.144405D+01 -0.194295D+01
               111           112           113           114           115 
      1   0.611001D+01 -0.251260D+02  0.431210D+01  0.124757D+01 -0.910375D+01
      2   0.393857D+00  0.239240D+02 -0.755430D+01 -0.143352D+01  0.108701D+02
      3  -0.650387D+01  0.120192D+01  0.324220D+01  0.185950D+00 -0.176634D+01
      4   0.391967D+01  0.399290D+01  0.101475D+02  0.108703D+02 -0.247575D+00
      5   0.501259D+01 -0.555970D+01  0.909928D+01 -0.106999D+02  0.184990D+02
      6  -0.634165D+01  0.817255D+01 -0.703313D+01  0.494245D+01 -0.591760D+01
               116           117           118           119           120 
      1   0.570057D+01  0.193539D+01  0.959483D+01 -0.116850D+02  0.162632D+00
      2  -0.960901D+01 -0.823040D+01 -0.669291D+01  0.922829D+01 -0.184966D+01
      3   0.390843D+01  0.629501D+01 -0.290192D+01  0.245676D+01  0.168702D+01
      4   0.979275D+01 -0.133313D+02 -0.968257D+01 -0.178417D+02 -0.449750D+01
      5  -0.135062D+02 -0.998115D+01  0.159161D+01 -0.326481D+01 -0.472964D+01
      6   0.116921D+02 -0.565447D+00 -0.261269D+01 -0.266976D+01  0.447561D+01
               121           122           123           124           125 
      1   0.235437D+01  0.791169D+01  0.582883D+01  0.271414D+01  0.362431D+01
      2  -0.886734D+01 -0.999914D+01 -0.743358D+01 -0.504169D+01 -0.102009D+02
      3   0.651297D+01  0.208745D+01  0.160475D+01  0.232755D+01  0.657655D+01
      4   0.113681D+02 -0.129188D+02 -0.228349D+01 -0.612731D+00 -0.416332D+01
      5  -0.773672D+00 -0.272477D+01 -0.128028D+01  0.147456D+01 -0.558768D+01
      6  -0.617801D+01 -0.108917D+02  0.215541D+01  0.174748D+01  0.107181D+02
               126           127           128           129           130 
      1  -0.150381D+02 -0.455038D+01  0.807260D+01  0.997482D+00  0.840038D+01
      2  -0.109190D+01  0.643442D+01 -0.111655D+02 -0.999890D+00 -0.109369D+02
      3   0.161300D+02 -0.188404D+01  0.309291D+01  0.240805D-02  0.253653D+01
      4  -0.686048D+01 -0.831756D+01  0.779727D+01  0.100627D+01  0.771960D+01
      5  -0.553032D+01 -0.638737D+00  0.123145D+01  0.126066D+01  0.129636D+01
      6   0.400604D+01  0.822244D+00 -0.124724D+01 -0.250959D+01 -0.219821D+01
               131           132           133           134           135 
      1  -0.220166D+02 -0.351191D+01  0.132343D+01 -0.371970D+01 -0.108049D+01
      2   0.294193D+02  0.277697D+01 -0.186523D+01  0.451107D+01  0.148404D+01
      3  -0.740262D+01  0.734938D+00  0.541791D+00 -0.791373D+00 -0.403549D+00
      4  -0.812711D+01 -0.970428D+00  0.997241D+00 -0.117964D+01 -0.173412D+01
      5  -0.131806D+01 -0.133493D+01  0.118202D+01 -0.692295D+00 -0.720673D+00
      6   0.465480D+01  0.572112D+01 -0.113274D+01  0.237640D+01  0.137214D+01
               136           137           138           139           140 
      1   0.643956D+01  0.486097D+01  0.113350D+01  0.181687D+00 -0.138975D+02
      2   0.239426D+01  0.472655D+01  0.173074D+00  0.100147D+02  0.337075D+02
      3  -0.883382D+01 -0.958752D+01 -0.130658D+01 -0.101964D+02 -0.198099D+02
      4   0.193690D+02  0.233636D+02  0.581164D+01  0.246175D+02  0.450054D+02
      5   0.522906D+01  0.579123D+01  0.559516D+01  0.607679D+01  0.101481D+02
      6   0.385166D+01  0.446038D+01  0.342376D+01  0.581377D+01  0.134933D+02
               141           142           143           144           145 
      1  -0.360028D+01  0.711889D+00 -0.278196D+01 -0.171833D+01  0.982580D+02
      2   0.513243D+01  0.182815D+01  0.721814D+01  0.254285D+01 -0.558136D+02
      3  -0.153215D+01 -0.254004D+01 -0.443618D+01 -0.824520D+00 -0.424444D+02
      4   0.103544D+02  0.712835D+01  0.124259D+02  0.437285D+01  0.916670D+01
      5   0.717629D+01  0.291023D+01  0.376000D+01  0.288879D+01  0.120718D+02
      6   0.978592D+01  0.251743D+01  0.543365D+01  0.388349D+01 -0.238109D+01
               146           147           148           149           150 
      1   0.637522D+01  0.764507D+01  0.460316D+01  0.902470D+01  0.191346D+01
      2  -0.311878D+01 -0.533739D+01 -0.206232D+01 -0.416033D+01 -0.165893D+01
      3  -0.325644D+01 -0.230768D+01 -0.254084D+01 -0.486437D+01 -0.254530D+00
      4   0.976287D+01  0.427751D+00  0.146637D+02  0.296436D+01  0.144948D+01
      5   0.505806D+00  0.116516D+02  0.378617D+01  0.168083D+01  0.130495D+01
      6   0.466726D+00  0.297963D+00  0.101034D+01 -0.136847D+00  0.159268D+01
               151           152           153           154           155 
      1   0.988035D+01  0.220446D+01  0.341772D+01  0.195496D+02 -0.119645D+02
      2  -0.564811D+01 -0.126021D+01 -0.226118D+01 -0.288826D+01 -0.215771D+01
      3  -0.423223D+01 -0.944255D+00 -0.115655D+01 -0.166613D+02  0.141222D+02
      4   0.413165D+01  0.161570D+01  0.825597D+00 -0.311368D+02  0.297574D+02
      5   0.348145D+01  0.540256D+00  0.197270D+01 -0.590002D+01  0.421358D+01
      6   0.118992D+00  0.713276D+00  0.512599D+00  0.207986D+01 -0.187259D+01
               156           157           158           159           160 
      1  -0.235933D+01 -0.826323D+01  0.142419D+01  0.447393D+00 -0.524801D+00
      2   0.783369D+00 -0.641871D+01  0.184517D+02  0.106362D+01 -0.150948D+01
      3   0.157596D+01  0.146819D+02 -0.198759D+02 -0.151101D+01  0.203428D+01
      4   0.416550D+01  0.325854D+02 -0.438073D+02 -0.760413D+01  0.552085D+01
      5   0.627240D+01  0.661833D+01 -0.798140D+01 -0.669215D+01  0.266141D+01
      6  -0.327658D+01 -0.412908D+01  0.600098D+01  0.654120D+01 -0.175736D+01
               161           162           163           164           165 
      1  -0.663568D+00 -0.219812D+00 -0.508155D+01 -0.827567D+01 -0.333417D+01
      2   0.351501D+01  0.103735D+01  0.605114D+01  0.952494D+01  0.219775D+01
      3  -0.285144D+01 -0.817542D+00 -0.969587D+00 -0.124927D+01  0.113641D+01
      4  -0.763810D+01 -0.316969D+01  0.427368D+01  0.705239D+01  0.163089D+01
      5  -0.239929D+01 -0.162934D+01  0.118684D+01  0.140963D+01  0.182097D+01
      6   0.274426D+01  0.206664D+01  0.296794D+01  0.452142D+01  0.306202D+01
               166           167           168           169           170 
      1  -0.786575D+01 -0.301260D+02 -0.926804D+01 -0.271890D+01 -0.880097D+01
      2   0.917964D+01  0.379910D+02  0.787125D+01  0.296472D+01  0.998604D+01
      3  -0.131390D+01 -0.786504D+01  0.139679D+01 -0.245822D+00 -0.118507D+01
      4   0.570411D+01  0.381630D+00 -0.435683D+00  0.192188D+01  0.548735D+00
      5   0.117581D+01 -0.543379D+00 -0.445986D-02  0.125479D+01  0.470484D+00
      6   0.359916D+01  0.138638D+02  0.978559D+01  0.148871D+01  0.591052D+01
               171 
      1  -0.414015D+01
      2   0.372423D+01
      3   0.415919D+00
      4   0.148502D+01
      5   0.830414D+00
      6   0.442281D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.675629D+00      0.171728D+01      0.572822D+01
   x         -0.453322D+00     -0.115223D+01     -0.384342D+01
   y         -0.449613D+00     -0.114280D+01     -0.381198D+01
   z          0.220954D+00      0.561610D+00      0.187333D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.949338D+02      0.140677D+02      0.156525D+02
   aniso      0.504491D+02      0.747578D+01      0.831793D+01
   xx         0.121710D+03      0.180355D+02      0.200672D+02
   yx         0.123939D+01      0.183659D+00      0.204349D+00
   yy         0.977839D+02      0.144901D+02      0.161224D+02
   zx         0.142346D+01      0.210935D+00      0.234697D+00
   zy         0.658964D+01      0.976484D+00      0.108648D+01
   zz         0.653078D+02      0.967761D+01      0.107678D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104127D+03      0.154300D+02      0.171682D+02
   aniso      0.512612D+02      0.759613D+01      0.845184D+01
   xx         0.131739D+03      0.195218D+02      0.217209D+02
   yx         0.110988D+01      0.164468D+00      0.182995D+00
   yy         0.106455D+03      0.157751D+02      0.175521D+02
   zx         0.134212D+01      0.198882D+00      0.221286D+00
   zy         0.638054D+01      0.945498D+00      0.105201D+01
   zz         0.741862D+02      0.109933D+02      0.122317D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -4.26489402          1.77909395          1.12281617
     6         -2.27859880          0.31983221          2.22092033
     1         -5.33889901          2.38031343          2.46235911
     1         -3.05056875         -1.47594418          2.91585410
     6         -1.06817656          1.72764595          4.43270801
     6         -0.35986096         -0.26988605          0.19277802
     1          0.44991963          0.61016929          5.26663239
     1         -2.46434331          2.10973542          5.90833549
     1         -0.28050423          3.51819641          3.78126826
     6          0.02177638          1.35539963         -1.84092584
     6          1.87242550          0.83044597         -3.62921229
     6          3.36533722         -1.31826723         -3.40363381
     6          2.98882733         -2.95143712         -1.38079957
     6          1.13308299         -2.42844570          0.39972143
     1         -1.15574686          3.01408543         -2.02267171
     1          2.14509964          2.10310151         -5.20790339
     1          4.80293561         -1.72546622         -4.80049219
     1          4.12967336         -4.63962440         -1.19746686
     1          0.83268800         -3.71905054          1.96222412

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.675629D+00      0.171728D+01      0.572822D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.675629D+00      0.171728D+01      0.572822D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.949338D+02      0.140677D+02      0.156525D+02
   aniso      0.504491D+02      0.747578D+01      0.831793D+01
   xx         0.913450D+02      0.135359D+02      0.150608D+02
   yx        -0.173592D+02     -0.257237D+01     -0.286215D+01
   yy         0.907608D+02      0.134494D+02      0.149644D+02
   zx        -0.219993D+02     -0.325996D+01     -0.362719D+01
   zy        -0.421763D+01     -0.624989D+00     -0.695394D+00
   zz         0.102696D+03      0.152179D+02      0.169322D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104127D+03      0.154300D+02      0.171682D+02
   aniso      0.512612D+02      0.759613D+01      0.845184D+01
   xx         0.100783D+03      0.149344D+02      0.166168D+02
   yx        -0.177046D+02     -0.262355D+01     -0.291909D+01
   yy         0.995868D+02      0.147572D+02      0.164196D+02
   zx        -0.223930D+02     -0.331830D+01     -0.369210D+01
   zy        -0.374474D+01     -0.554914D+00     -0.617425D+00
   zz         0.112012D+03      0.165984D+02      0.184682D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U25-33\Freq\RLC-PBEPBE\Gen\C8H10O1\PIERPA\16-Aug-2021\0\\
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=026600000
 0,3/108=0266000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )\\ROA calculations.\\0,1\O,-2.206683,0.991247,-0.693458\C,-1.642229,-
 0.263628,-0.312054\H,-3.16488,0.92273,-0.63125\H,-1.839152,-1.004057,-
 1.098273\C,-2.254977,-0.761668,0.996255\C,-0.146221,-0.09897,-0.189451
 \H,-1.821288,-1.71964,1.286063\H,-3.335121,-0.898007,0.89046\H,-2.0670
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 3556,0.600973\H,3.691054,0.226969,0.266922\H,2.695233,-1.949451,-0.374
 819\H,0.256637,-2.150534,-0.674443\\Version=ES64L-G16RevA.03\State=1-A
 \HF=-386.2763007\RMSD=7.935e-09\RMSF=1.157e-05\ZeroPoint=0.1607139\The
 rmal=0.1691462\Dipole=-0.453322,-0.4496134,0.2209545\DipoleDeriv=-0.54
 67921,0.2452699,-0.1074422,0.3016783,-0.7071734,0.1658228,-0.1211742,0
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 ,0.0192364,0.0354039,-0.2389868,-0.0426794,0.0061629,-0.0323015,0.0673
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 330061,-0.0775483,-0.0340275,-0.0668637,-0.0530807,-0.0492216,-0.03106
 79,-0.05446,0.1024396\Polar=121.7095845,1.2393945,97.7839299,1.4234612
 ,6.5896377,65.3077565\Quadrupole=5.2339209,-0.5321561,-4.7017647,0.975
 7834,0.1768927,1.9798777\PG=C01 [X(C8H10O1)]\NImag=0\\0.63320409,-0.02
 692683,0.28986629,-0.01721023,-0.07555797,0.07587865,-0.10365625,0.009
 84476,0.00054790,0.50785699,0.05398209,-0.18214297,0.02598784,0.018072
 28,0.50753519,-0.01813677,0.03155197,-0.07078628,0.01829773,0.07646653
 ,0.49652325,-0.50333593,-0.01982075,0.02698551,-0.01862284,-0.00494120
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 0.00284437,-0.00032850,0.02406963,0.04934414,0.04474928,0.01504471,-0.
 00839083,-0.01296353,-0.00057814,-0.00106236,-0.02947538,-0.01658832,0
 .00923065,0.00250548,0.01844949,0.00823702,-0.06093360,-0.03171985,-0.
 03560099,0.00069415,0.00042131,0.00087073,0.06909346,0.00627119,-0.038
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 5021,0.03574439,0.12199474,0.19332344,0.00355804,0.01403338,-0.0153381
 4,-0.09459498,-0.01712349,0.04387047,0.00337182,0.00132909,-0.00188187
 ,0.00330772,0.00056007,-0.00476206,0.54833866,-0.00557146,-0.02963228,
 0.03981700,-0.00630098,-0.07838322,0.01223662,-0.00219333,0.00154709,-
 0.00073260,0.00742578,0.00869137,-0.01806072,-0.01777638,0.56489999,0.
 00047983,0.01425801,-0.01035900,0.03073099,0.01828543,-0.15250987,0.00
 019660,0.00016638,0.00051256,0.01256062,0.00783622,-0.02486677,0.03995
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 0.00041069,0.00053184,0.00043058,0.00028906,-0.00046471,-0.08925039,0.
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 A true friend is someone who is there for
 you when he'd rather be anywhere else.
                               -- Len Wein
 Job cpu time:       0 days  3 hours 23 minutes 21.7 seconds.
 Elapsed time:       0 days  0 hours 25 minutes 30.2 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:45:25 2021.
